SCHEMBL1649469

SCHEMBL1649469

NC(=O)c1cccc2c1OCC=N2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.50
PARP1 P09874 6/20 0.49
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
METAP2 P50579 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 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
Hydrochloric Acid SCHEMBL28871452 0.97 TRPA1 (0.48) TRPA1PARP1CYP11B1CYP11B2METAP2
SCHEMBL2635508 0.85 TRPA1 (0.39) TRPA1PARP1KDM4EALDH1A1MAPT
SCHEMBL16058055 0.74 PARP1 (0.41) TRPA1PARP1CYP11B1CYP11B2METAP2
SCHEMBL30403098 0.71 CA2 (0.36)
SCHEMBL2599647 0.70 ADRA2A (0.38)
SCHEMBL30066970 0.69 PARP1 (0.50) TRPA1PARP1CYP11B1CYP11B2METAP2
SCHEMBL5322267 0.69 PARP1 (0.50) TRPA1PARP1CYP11B1CYP11B2METAP2
SCHEMBL8079405 0.69 PARP1 (0.46) TRPA1PARP1CYP11B1CYP11B2KDM4E
SCHEMBL13098214 0.67 TRPA1 (1.00) TRPA1PARP1MAPT
SCHEMBL1720148 0.66 PARP1 (0.54) TRPA1PARP1CYP11B1CYP11B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136809-A Azasetron for treating sudden acoustic nerve hearing loss 森索睿翁公司 2024-12-13 CN claimed
WO-2002036114-A1 COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 RESPIRATORIUS AB (SE) 2002-05-10 WO claimed
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO claimed
CN-119136809-A Azasetron for treating sudden acoustic nerve hearing loss 森索睿翁公司 2024-12-13 CN disclosed
US-11278530-B2 Polycyclic amides as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2022-03-22 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
WO-2002036113-A1 COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) RESPIRATORIUS AB (SE) 2002-05-10 WO disclosed
WO-2002036114-A1 COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 RESPIRATORIUS AB (SE) 2002-05-10 WO disclosed
WO-2001095902-A9 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS 2002-04-25 WO disclosed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO disclosed
WO-2001095903-A1 5-HT3 RECEPTOR ANTAGONISTS FOR TREATMENT OF DISORDERS INVOLVING AIRWAY CONSTRICTION RESPIRATORIUS AB (SE) 2001-12-20 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-11278530-B2 Polycyclic amides as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM5 TRPA1 103/4885PARP1 2034/4885CYP11B1 623/4885

“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.