SCHEMBL15001986

SCHEMBL15001986

COc1ccc(-c2cc(C(C)C)n(CC(=O)N3Cc4nc(C)sc4C3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCB1 P08183 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
CYP2D6 P10635 1/20 0.35
GABRA1 P14867 1/20 0.35
ALOX15 P16050 1/20 0.35
GABRB1 P18505 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
SCHEMBL15024401 0.80 TSHR (0.47) GRM5KMT2ARAB9AMAPTLMNA
SCHEMBL15001981 0.80 NPC1 (0.49) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL15002309 0.79 GRM5 (0.44) GRM5KMT2ARAB9ANPC1POLB
SCHEMBL15001834 0.79 GRM5 (0.48) GRM5KMT2ARAB9ANPC1POLB
SCHEMBL15001980 0.78 GRM5 (0.49) GRM5KMT2ARAB9ANPC1POLB
SCHEMBL15001988 0.78 GRM5 (0.52) GRM5KMT2ARAB9ANPC1MAPT
SCHEMBL15002023 0.78 GRM5 (0.53) GRM5KMT2AKDM4EALDH1A1
SCHEMBL15001945 0.77 GRM5 (0.60) GRM5KMT2AKDM4EALDH1A1
SCHEMBL15002325 0.77 GRM5 (0.49) GRM5RAB9ANPC1MAPT
SCHEMBL15001992 0.76 GRM5 (0.54) GRM5KMT2ARAB9ANPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 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 (1 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-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885KMT2A 1800/4885RAB9A 732/4885

“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.