SCHEMBL5757340

SCHEMBL5757340

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)/C=C/c3cccs3)CC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5757343 1.00 OPRM1 (0.49) OPRM1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5753580 0.87 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL5753582 0.87 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL5753086 0.85 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2POLBPKM
SCHEMBL5753080 0.85 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2POLBPKM
SCHEMBL5754990 0.82 OPRM1 (0.51) OPRM1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5754986 0.82 OPRM1 (0.51) OPRM1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5754331 0.82 OPRM1 (0.57) OPRM1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5754326 0.82 OPRM1 (0.57) OPRM1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5755335 0.81 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2POLBKDM4E

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 1/4885ALDH1A1 70/4885SMN1; SMN2 2757/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885ALDH1A1 70/4885SMN1; SMN2 2757/4885

“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.