SCHEMBL5756064

SCHEMBL5756064

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)Cc3csc(Cl)c3)CC21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.52
KCNH2 Q12809 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ROCK1 Q13464 4/20 0.37
CYP3A4 P08684 1/20 0.37
PRKACA P17612 1/20 0.35
CTPS1 P17812 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ROCK2 O75116 1/20 0.34
RAB9A P51151 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
SCHEMBL5753692 0.84 OPRM1 (0.65) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5753714 0.81 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1CYP3A4
SCHEMBL5786200 0.80 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1SMN1; SMN2
SCHEMBL5753549 0.78 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5755500 0.78 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1GRIN1
SCHEMBL5753623 0.77 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1CYP3A4
SCHEMBL5758139 0.77 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5753248 0.77 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5755630 0.76 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1CYP3A4
SCHEMBL5757445 0.76 OPRM1 (0.59) OPRM1KCNH2OPRD1OPRK1ROCK1

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 1/4885KCNH2 3004/4885OPRD1 3/4885
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.