SCHEMBL5754389

SCHEMBL5754389

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CC3Cc4ccccc4C3)CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 1.00
KCNH2 Q12809 3/20 0.78
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
PRMT5 O14744 1/20 0.39
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
GRIA2 P42262 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL5608182 0.88 KCNH2 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755550 0.81 OPRM1 (0.78) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL5756455 0.81 OPRM1 (0.88) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL5752273 0.80 OPRM1 (0.67) OPRM1KCNH2OPRD1OPRK1PRMT5
SCHEMBL5754765 0.79 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755033 0.79 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5753484 0.79 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL5753749 0.78 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5752774 0.78 OPRM1 (0.77) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5752739 0.78 OPRM1 (0.70) 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 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.