SCHEMBL3780939

SCHEMBL3780939

COc1cc(CCN)ccc1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ATM Q13315 1/20 0.72
TAAR1 Q96RJ0 5/20 0.68
TSHR P16473 2/20 0.68
MAPK1 P28482 1/20 0.68
LMNA P02545 2/20 0.66
GLA P06280 1/20 0.66
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
MEN1 O00255 1/20 0.59
APEX1 P27695 1/20 0.59
KMT2A Q03164 1/20 0.59
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
CYP19A1 P11511 1/20 0.53

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
SCHEMBL4222142 0.89 KDM4E (0.58) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL1467270 0.85 KDM4E (0.72) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29559710 0.85 KDM4E (0.72) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL15760679 0.84 TUBB4A (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL6946432 0.84 KDM4E (0.50) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL210639 0.84 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29351641 0.84 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL1437044 0.83 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL2559405 0.82 ATM (0.48) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL3745006 0.82 ATM (0.96) KDM4EATMTAAR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150377879-A1 PEPTOIDS THAT BIND SPECIFIC ANTIGENS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-12-31 US disclosed
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
US-7186861-B2 Z-substituted acrylamides, methods for production thereof and agents comprising the same BASF AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 EP disclosed
US-4107165-A ANTICOAGULANTS ENDO LABORATORIES (US) 1978-08-15 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 (2 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-20150377879-A1 PEPTOIDS THAT BIND SPECIFIC ANTIGENS AQP4, AQP3, AQP1 KDM4E 4059/4885ATM 4818/4885TAAR1 3713/4885
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 KDM4E 761/4885ATM 2535/4885TAAR1 209/4885

“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.