SCHEMBL19199705

SCHEMBL19199705

CN1CC[C@@H]2C[C@H]1Cc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
GRIN2B Q13224 2/20 0.42
PRCP P42785 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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 1.00 CHRNB2 (0.45) CHRNB2CHRNA4GRIN2BPRCPSIGMAR1
SCHEMBL12372000 0.80 SIGMAR1 (0.47) CHRNB2CHRNA4SIGMAR1CYP2D6HTR2A
SCHEMBL12371998 0.80 SIGMAR1 (0.44) CHRNB2CHRNA4SIGMAR1HTR2AHTR2C
SCHEMBL20245626 0.78 OPRM1 (0.42) SIGMAR1OPRM1CYP3A4CYP2D6DRD2
SCHEMBL12105074 0.77 MTNR1B (0.40) GRIN2B
SCHEMBL12105124 0.77 MTNR1B (0.40) GRIN2B
SCHEMBL12105122 0.77 MTNR1B (0.40) GRIN2B
SCHEMBL18408066 0.76 GRIN2B (0.40) CHRNB2CHRNA4GRIN2BOPRM1
SCHEMBL12371996 0.76 DRD2 (0.39) GRIN2BSIGMAR1OPRM1HTR2AHTR2C
SCHEMBL12371994 0.76 SIGMAR1 (0.41) SIGMAR1OPRM1HTR2AHTR2CHTR2B

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-9932349-B2 8-carboxamido-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2018-04-03 US disclosed
US-20170217977-A1 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES RENSSELAER POLYTECHNIC INSTITUTE (US) 2017-08-03 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-20170217977-A1 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES HRH4, HRH2, HRH3 CHRNB2 573/4885CHRNA4 289/4885GRIN2B 401/4885

“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.