SCHEMBL12371996

SCHEMBL12371996

Cc1cccc2c1C1CCN(C)C(C2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
HTR1A P08908 2/20 0.39
OPRL1 P41146 2/20 0.37
OPRM1 P35372 1/20 0.37
GRIN2B Q13224 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2B P41595 2/20 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
SCHEMBL12371993 0.76 CHRNB2 (0.45) DRD2OPRM1GRIN2BHTR2AHTR2C
SCHEMBL19199705 0.76 CHRNB2 (0.45) DRD2OPRM1GRIN2BHTR2AHTR2C
SCHEMBL12371994 0.76 SIGMAR1 (0.41) OPRL1OPRM1HTR2AHTR2CSLC6A2
SCHEMBL12372000 0.73 SIGMAR1 (0.47) HTR1AHTR2AHTR2CSLC6A2SLC6A3
SCHEMBL12371998 0.70 SIGMAR1 (0.44) DRD2HTR1AHTR2AHTR2CSLC6A2
SCHEMBL21965087 0.69 OPRL1 (0.47) OPRL1HTR2AHTR2CSLC6A2SLC6A3
SCHEMBL20245626 0.66 OPRM1 (0.42) DRD2OPRM1SLC6A2SLC6A3SIGMAR1
SCHEMBL527813 0.63 ACHE (0.41) DRD2HTR1AHTR2AHTR2CSLC6A2
SCHEMBL16950778 0.62 ABCB1 (0.51) HTR1AOPRL1HTR2CSLC6A2SLC6A3
SCHEMBL16959393 0.61 ALDH1A1 (0.46) HTR2AHTR2CHTR2B

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 DRD2 855/4885HTR1A 418/4885OPRL1 280/4885

“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.