SCHEMBL5753582

SCHEMBL5753582

Cc1ccsc1C=CC(=O)N1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.48
KCNH2 Q12809 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PAX8 Q06710 1/20 0.34
CHRNB2 P17787 1/20 0.33

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
SCHEMBL5753580 1.00 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1BRD4
SCHEMBL5757343 0.87 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5757340 0.87 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5755938 0.84 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1BRD4
SCHEMBL5753086 0.84 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5753080 0.84 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5755940 0.84 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1BRD4
SCHEMBL5755325 0.82 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5755335 0.82 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1ALDH1A1
SCHEMBL5754986 0.81 OPRM1 (0.51) OPRM1KCNH2OPRD1OPRK1ALDH1A1

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.