SCHEMBL3094477

SCHEMBL3094477

CCOC(=O)N1CCNc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.55
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD11B1 P28845 1/20 0.44
HSD17B3 P37058 1/20 0.43
BCHE P06276 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AVPR2 P30518 1/20 0.41
ADORA1 P30542 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL9226464 0.88 BCHE (0.49) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL30379140 0.88 BCHE (0.49) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL28092508 0.86 P2RX4 (0.49) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL3089343 0.85 SMN1; SMN2 (0.46) AVPR1AGAASMN1; SMN2MAPK1NPC1
SCHEMBL28092454 0.83 HSD11B1 (0.46) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL28092694 0.83 AVPR1A (0.45) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL22049116 0.82 AVPR1A (0.54) AVPR1AGAATHRBHSD11B1HSD17B3
SCHEMBL28092572 0.81 AVPR1A (0.44) AVPR1AGAASMN1; SMN2THRBMAPK1
SCHEMBL29505992 0.81 MAPK1 (0.60) AVPR1ATHRBMAPK1HSD11B1HSD17B3
SCHEMBL975814 0.81 MAPK1 (0.60) AVPR1ATHRBMAPK1HSD11B1HSD17B3

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
CN-106029076-A Benzopiperazine compositions as BET bromodomain inhibitors 福马疗法公司 2016-10-12 CN disclosed
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 AVPR1A 173/4885GAA 2545/4885SMN1; SMN2 3968/4885

“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.