SCHEMBL684149

SCHEMBL684149

Cc1cc(C)c(CC2=NCCN2)c(C)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.71
HTR1B P28222 9/20 0.71
ADRA2A P08913 6/20 0.65
ADRA2B P18089 5/20 0.65
ADRA2C P18825 5/20 0.65
ADRA1D P25100 5/20 0.65
ADRA1A P35348 5/20 0.65
ADRA1B P35368 5/20 0.65
HTR1A P08908 4/20 0.65
LMNA P02545 4/20 0.65
CYP2D6 P10635 4/20 0.65
TSHR P16473 4/20 0.65
CHRM2 P08172 2/20 0.65
CHRM1 P11229 2/20 0.65
HTR2A P28223 2/20 0.65
HTR2C P28335 2/20 0.65
DRD3 P35462 2/20 0.65
HTR2B P41595 2/20 0.65
TP53 P04637 1/20 0.65
DRD2 P14416 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4629115 0.90 HTR1D (0.66) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL953962 0.90 HTR1D (0.70) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL22953216 0.83 HTR1D (0.78) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL953076 0.83 HTR1D (1.00) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL953214 0.82 HTR1D (0.62) HTR1DHTR1BADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7969470 0.81 HTR1D (0.97) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL953638 0.80 HTR1D (0.76) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL26078561 0.80 HTR1D (0.76) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL7982884 0.80 HTR1D (1.00) HTR1DHTR1BADRA2AADRA2BADRA2C
Oxymetazoline SCHEMBL4629825 0.80 HTR1D (0.86) HTR1DHTR1BADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES INC 2017-08-03 US disclosed
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders Galderma Laboratories, L.P. (US) 2016-08-04 US disclosed
US-9186358-B2 Combination therapy for treating or preventing an inflammatory skin disorder Galderma Laboratories, L.P. (US) 2015-11-17 US disclosed
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS Galderma Laboratories, L.P. (US) 2015-07-23 US disclosed
US-9072739-B2 Method for treating psoriasis Galderma Laboratories, L.P. (US) 2015-07-07 US disclosed
US-8993571-B2 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders Galderma Laboratories, L.P. (US) 2015-03-31 US disclosed
US-8859551-B2 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders GALDERMA LABORATORIES INC. (US) 2014-10-14 US disclosed
US-8557817-B2 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders GALDERMA LABORATORIES INC. (US) 2013-10-15 US disclosed
US-20130243837-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging GALDERMA LABORATORIES INC. (US) 2013-09-19 US disclosed
US-20130184283-A1 METHOD FOR TREATING PSORIASIS Galderma Laboratories, L.P. (US) 2013-07-18 US disclosed
US-20120277241-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES, INC. (US) 2012-11-01 US disclosed
US-8231885-B2 Compounds, formulations, and methods for ameliorating telangiectasis GALDERMA LABORATORIES INC. (US) 2012-07-31 US disclosed
US-20110286945-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging GALDERMA LABORATORIES INC. (US) 2011-11-24 US disclosed
US-20110118267-A1 Method and Kit for Treating or Preventing Psoriasis Galderma Laboratories, L.P. (US) 2011-05-19 US disclosed
US-7838563-B2 Compounds, formulations, and methods for ameliorating telangiectasias GALDERMA LABORATORIES INC. (US) 2010-11-23 US disclosed
US-20100227867-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES INC. (US) 2010-09-09 US disclosed
US-20100130502-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES, INC. (US) 2010-05-27 US disclosed
US-20100021402-A1 Compounds, Formulations, and Methods for Ameliorating Telangiectasis GALDERMA LABORATORIES INC. (US) 2010-01-28 US disclosed
US-20090060852-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging GALDERMA LABORATORIES INC. 2009-03-05 US disclosed
US-7439241-B2 Compounds, formulations, and methods for treating or preventing rosacea GALDERMA LABORATORIES, INC. (US) 2008-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100021402-A1 Compounds, Formulations, and Methods for Ameliorating Telangiectasis TEK, ADRB1, TBXA2R HTR1D 398/4885HTR1B 432/4885ADRA2A 10/4885
US-20120277241-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20100130502-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20100227867-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20090060852-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging ADRA2A, ADRA2C, ADRA2B HTR1D 144/4885HTR1B 69/4885ADRA2A 1/4885
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 HTR1D 347/4885HTR1B 300/4885ADRA2A 120/4885
US-20110118267-A1 Method and Kit for Treating or Preventing Psoriasis ADRB2, ADRA2A, ADRA2C HTR1D 903/4885HTR1B 464/4885ADRA2A 2/4885
US-20130184283-A1 METHOD FOR TREATING PSORIASIS ADRB2, ADRA2A, ADRA2C HTR1D 998/4885HTR1B 572/4885ADRA2A 2/4885
US-20110286945-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging ADRA2A, ADRA2C, ADRA2B HTR1D 144/4885HTR1B 69/4885ADRA2A 1/4885
US-20130243837-A1 Compounds, Formulations and Methods for Reducing Skin Wrinkles, Creasing and Sagging ADRA2A, ADRA2C, ADRA2B HTR1D 144/4885HTR1B 69/4885ADRA2A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.