SCHEMBL5752471

SCHEMBL5752471

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C/C=C/c3ccccc3C(F)(F)F)CC21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.56
KCNH2 Q12809 3/20 0.44
OPRD1 P41143 4/20 0.43
OPRK1 P41145 2/20 0.43
KIF11 P52732 1/20 0.35
MAOB P27338 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5752473 1.00 OPRM1 (0.56) OPRM1KCNH2OPRD1OPRK1KIF11
SCHEMBL5752550 0.84 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5752558 0.84 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5757588 0.83 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1MAOB
SCHEMBL5757593 0.83 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1MAOB
SCHEMBL5752866 0.81 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1CYP1A2
SCHEMBL5752869 0.81 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1CYP1A2
SCHEMBL5754326 0.80 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754331 0.80 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754470 0.79 OPRM1 (0.61) 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 5 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
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.