SCHEMBL14716565

SCHEMBL14716565

CN1CCc2c([nH]c3c(Cl)ccc(Cl)c23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ADRA1D P25100 5/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
HTT P42858 1/20 0.40
PTK2B Q14289 1/20 0.40
CYP2D6 P10635 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CHRNA7 P36544 1/20 0.38
AR P10275 1/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL12480438 0.89 ADRA2A (0.44) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL12479145 0.88 CHRNA7 (0.48) KDM4EADRA1DADRA1AADRA1BADRA2A
SCHEMBL12480290 0.77 CHRNA7 (0.43) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL12479621 0.77 CHRNA7 (0.43) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL12479112 0.77 ADRA2A (0.46) KDM4EADRA1DADRA1AADRA1BADRA2A
SCHEMBL12480797 0.77 ADRA2A (0.46) KDM4EADRA1DADRA1AADRA1BADRA2A
SCHEMBL18034996 0.70 ADRA2A (0.58) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL168661 0.70 CHRNA7 (0.60) KDM4EADRA1DADRA1AADRA1BADRA2A
SCHEMBL6479683 0.68 MEN1 (0.42) KDM4EMEN1KMT2A
SCHEMBL1120485 0.67 KDM4E (0.64) KDM4EADRA1DADRA1AADRA1BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KDM4E 2111/4885ADRA1D 13/4885ADRA1A 15/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C KDM4E 2173/4885ADRA1D 20/4885ADRA1A 18/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KDM4E 2111/4885ADRA1D 13/4885ADRA1A 15/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KDM4E 2111/4885ADRA1D 13/4885ADRA1A 15/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C KDM4E 2122/4885ADRA1D 20/4885ADRA1A 18/4885

“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.