SCHEMBL7350945

SCHEMBL7350945

COc1cc(C)c2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.47
BRAF P15056 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
QPCT Q16769 2/20 0.38
PDPK1 O15530 2/20 0.37
BRD4 O60885 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ELANE P08246 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL29149388 0.81 MMP12 (0.47) MMP12BRAFALDH1A1PRNPMAPT
SCHEMBL8404371 0.76 PARP1 (0.43) MMP12ALDH1A1MAPTRXFP1QPCT
SCHEMBL2418830 0.73 NQO2 (0.38) MMP12ALDH1A1MAPTQPCTPDPK1
SCHEMBL29260806 0.73 ALDH1A1 (0.41) ALDH1A1MAPTRXFP1BRD4NPC1
SCHEMBL31056362 0.73 NQO2 (0.38) MMP12ALDH1A1MAPTQPCTPDPK1
SCHEMBL29260807 0.73 ALDH1A1 (0.41) ALDH1A1MAPTRXFP1BRD4NPC1
SCHEMBL7090538 0.73 PRKCI (0.41) ALDH1A1MAPTPDPK1BRD4KDM4E
SCHEMBL15756184 0.72 POLB (0.38) MMP12ALDH1A1MAPTPDPK1ADRA2A
SCHEMBL24224423 0.70 ADRA2A (0.37) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL25648677 0.70 ALDH1A1 (0.36) ALDH1A1MAPTADRA2AADRA2CADRA1D

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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
EP-0480939-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1992-04-22 EP disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 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 (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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 MMP12 1388/4885BRAF 396/4885ALDH1A1 3003/4885

“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.