SCHEMBL15313178

SCHEMBL15313178

CC(F)(F)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL28311781 0.83 ADRB1 (0.34) ADRB1ALDH1A1LMNAHTR3EHTR3B
SCHEMBL3888868 0.77 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL6556071 0.77 ADRB1 (0.33) ADRB1ADRB2SIGMAR1
SCHEMBL9582917 0.77 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL104919 0.77 ADRB1 (0.33) ADRB1SIGMAR1
SCHEMBL517802 0.77 ADRB1 (0.37) ADRB1ALDH1A1LMNAHTR3EHTR3B
SCHEMBL4448044 0.74 HIF1A (0.35) ADRB1ADRB2SIGMAR1
SCHEMBL14805909 0.74 HIF1A (0.35) ADRB1SIGMAR1
SCHEMBL22375421 0.74 HIF1A (0.35) ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL12818396 0.74 ALDH1A1 (0.37) ADRB1ALDH1A1LMNAADRB2HTR3E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 US disclosed
EP-3042903-A1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof Advinus Therapeutics Limited (IN) 2016-07-13 EP disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 US disclosed
EP-2838900-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2015-02-25 EP disclosed
WO-2013158776-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 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 (5 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-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ADRB1 4321/4885ALDH1A1 3727/4885LMNA 1716/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ADRB1 4321/4885ALDH1A1 3727/4885LMNA 1716/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ADRB1 4321/4885ALDH1A1 3727/4885LMNA 1716/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ADRB1 4321/4885ALDH1A1 3727/4885LMNA 1716/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS ADRB1 4321/4885ALDH1A1 3727/4885LMNA 1716/4885

“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.