SCHEMBL5756025

SCHEMBL5756025

Cc1cccc(C=CCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.55
KCNH2 Q12809 6/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1E P28566 1/20 0.34

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
SCHEMBL5756022 1.00 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1HTR1A
SCHEMBL5752869 0.88 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1CYP3A4
SCHEMBL5752866 0.88 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1CYP3A4
SCHEMBL5755424 0.86 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1HTR1A
SCHEMBL5755430 0.86 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1HTR1A
SCHEMBL5752550 0.84 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5752558 0.84 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755335 0.83 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1HTR1A
SCHEMBL5755325 0.83 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1HTR1A
SCHEMBL5754331 0.81 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP claimed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US claimed
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 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-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885KCNH2 3004/4885OPRD1 3/4885

“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.