SCHEMBL6001969

SCHEMBL6001969

CN1CCN(C2CCCc3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.68
HTR2C P28335 3/20 0.55
OPRM1 P35372 5/20 0.54
OPRK1 P41145 5/20 0.54
OPRL1 P41146 5/20 0.54
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
OPRD1 P41143 2/20 0.49
EED O75530 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL7678292 0.95 CHRNA7 (0.67) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL7680070 0.95 CHRNA7 (0.67) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL7680425 0.95 CHRNA7 (0.67) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL6002219 0.95 CHRNA7 (0.66) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL6002202 0.90 CHRNA7 (0.62) CHRNA7OPRM1OPRK1OPRL1MAOB
SCHEMBL5489875 0.89 HTR2C (0.56) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL20137193 0.88 CHRNA7 (0.80) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL5899579 0.88 CHRNA7 (0.80) CHRNA7HTR2COPRM1OPRK1OPRL1
SCHEMBL9737757 0.86 CHRNA7 (0.77) CHRNA7HTR2COPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6421624 0.85 CHRNA7 (0.75) CHRNA7HTR2COPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
CN-1182847-C Selective 5-HT1AAntagonists and Selectivity h5-HT1BCombinations of antagonists or partial agonists 2005-01-05 CN disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
CN-1073101-C Substituted 1,2,3, 4-tetrahydronaphthalene derivatives ASTRA AB (SE) 2001-10-17 CN disclosed
CN-1279609-A Selective 5-HT1AAntagonists and Selectivity h 5-HT1BCompositions of antagonists or partial agonists ASTRAZENECA AB (SE) 2001-01-10 CN disclosed
CN-1270585-A Substituted 1,2,3, 4-tetrahydronaphthalene derivatives ASTRA AB (SE) 2000-10-18 CN disclosed
CN-1219170-A Substituted 1,2,3, 4-tetrahydronaphthalene derivatives ASTRA AB (SE) 1999-06-09 CN 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 CHRNA7 1146/4885HTR2C 792/4885OPRM1 111/4885

“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.