SCHEMBL12371994

SCHEMBL12371994

Cc1cccc2c1CC1CC2CCN1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
OPRL1 P41146 4/20 0.41
KCNH2 Q12809 1/20 0.41
OPRM1 P35372 2/20 0.38
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.33

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
SCHEMBL12371993 0.76 CHRNB2 (0.45) SIGMAR1OPRM1HTR2CHTR2BHTR2A
SCHEMBL19199705 0.76 CHRNB2 (0.45) SIGMAR1OPRM1HTR2CHTR2BHTR2A
SCHEMBL12371996 0.76 DRD2 (0.39) SIGMAR1OPRL1OPRM1SLC6A2SLC6A3
SCHEMBL12372000 0.73 SIGMAR1 (0.47) SIGMAR1SLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL21079136 0.72 ACHE (0.48) SLC6A2SLC6A3SLC6A4
SCHEMBL12371998 0.70 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL20245626 0.66 OPRM1 (0.42) SIGMAR1OPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL18099210 0.65 SIGMAR1 (0.59) SIGMAR1SLC6A4
SCHEMBL8207826 0.64 HTR2C (0.50) SIGMAR1KCNH2OPRM1SLC6A2SLC6A3
SCHEMBL3090108 0.64 MAPT (0.50) SIGMAR1SLC6A2SLC6A3SLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859580-B2 Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use HSD3B1, CYP11B1, HSD11B1 SIGMAR1 287/4885OPRL1 280/4885KCNH2 4246/4885

“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.