SCHEMBL94268

SCHEMBL94268

COc1cc(-c2ccc(Cl)cn2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
MAPT P10636 1/20 0.46
DYRK1A Q13627 2/20 0.45
CYP19A1 P11511 1/20 0.43
WNT3A P56704 1/20 0.42
ACVR2A P27037 4/20 0.41
TGFBR2 P37173 4/20 0.41
SCN9A Q15858 1/20 0.41
HPGDS O60760 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ATR Q13535 1/20 0.39
TGFBR1 P36897 2/20 0.39
ALOX5AP P20292 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL94423 0.83 CCR1 (0.55) MAPTDYRK1ACYP19A1WNT3AACVR2A
SCHEMBL18034739 0.81 MAPT (0.46) MAPTDYRK1ACYP19A1WNT3AACVR2A
SCHEMBL19762807 0.78 IDO1 (0.54) CYP19A1LOXLOXL2TGFBR1GRIA2
SCHEMBL132252 0.77 GABRA1 (0.46) MAPTDYRK1ACYP19A1WNT3AACVR2A
SCHEMBL30626327 0.76 LOX (0.55) CNR1MAPTDYRK1ACYP19A1ACVR2A
SCHEMBL16116782 0.76 LOX (0.55) CNR1MAPTDYRK1ACYP19A1ACVR2A
SCHEMBL27111217 0.75 MAPT (0.47) CNR1MAPTDYRK1ACYP19A1ACVR2A
SCHEMBL29890121 0.73 LRRK2 (0.48) CNR1DYRK1ACYP19A1ACVR2ATGFBR2
SCHEMBL16385279 0.73 KDM4E (0.48) MAPT
SCHEMBL30078861 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618299-B2 Azinone-substituted azapolycycle MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-12-31 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003012-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO 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-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 CNR1 44/4885MAPT 4227/4885DYRK1A 2587/4885
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 CNR1 44/4885MAPT 4227/4885DYRK1A 2587/4885

“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.