SCHEMBL5756818

SCHEMBL5756818

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)c3cc4ccccc4s3)CC21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
HRH4 Q9H3N8 1/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KCNH2 Q12809 2/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CHRNA7 P36544 3/20 0.40
HTR3A P46098 2/20 0.40
SLC9A1 P19634 1/20 0.40
GHSR Q92847 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39

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
SCHEMBL5753691 0.82 OPRM1 (0.62) OPRM1KCNH2OPRD1OPRK1GHSR
SCHEMBL5752701 0.81 OPRM1 (0.54) OPRM1HRH4L3MBTL1CA12CA1
SCHEMBL5756546 0.78 OPRM1 (0.51) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5752273 0.77 OPRM1 (0.67) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5786200 0.76 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5753248 0.74 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5756918 0.74 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755333 0.73 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1HDAC6
SCHEMBL5755338 0.73 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1HDAC6
SCHEMBL5756268 0.73 OPRM1 (0.56) OPRM1KCNH2OPRD1OPRK1

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 7 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 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 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
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO 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 (2 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885HRH4 358/4885DPP4 3736/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885HRH4 358/4885DPP4 3736/4885

“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.