SCHEMBL5755500

SCHEMBL5755500

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.55
GRIN1 Q05586 12/20 0.54
GRIN2B Q13224 12/20 0.54
KCNH2 Q12809 4/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL5755630 0.87 OPRM1 (0.59) OPRM1GRIN1GRIN2BKCNH2PTPN2
SCHEMBL5758139 0.86 OPRM1 (0.55) OPRM1GRIN1GRIN2BKCNH2OPRD1
SCHEMBL5757445 0.85 OPRM1 (0.59) OPRM1GRIN1GRIN2BKCNH2PTPN2
SCHEMBL5755615 0.85 OPRM1 (0.52) OPRM1GRIN1GRIN2B
SCHEMBL5755846 0.84 OPRM1 (0.77) OPRM1GRIN1GRIN2BKCNH2OPRD1
SCHEMBL5753549 0.84 OPRM1 (0.55) OPRM1GRIN1GRIN2BKCNH2PTPN2
SCHEMBL5753248 0.82 OPRM1 (0.74) OPRM1GRIN1GRIN2BKCNH2PTPN2
SCHEMBL5753623 0.81 OPRM1 (0.53) OPRM1GRIN1GRIN2BKCNH2OPRD1
SCHEMBL5755086 0.80 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755715 0.79 OPRM1 (0.52) OPRM1GRIN1GRIN2BKCNH2PTPN2

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 1/4885GRIN1 360/4885GRIN2B 339/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885GRIN1 360/4885GRIN2B 339/4885

“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.