SCHEMBL5756546

SCHEMBL5756546

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3nc4ccccc4s3)CC21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
PKM P14618 3/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
NLRP1 Q9C000 1/20 0.40
RAB9A P51151 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL5755097 0.85 OPRM1 (0.68) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755086 0.80 OPRM1 (0.55) OPRM1GAAHTTMAPTALDH1A1
SCHEMBL5757445 0.80 OPRM1 (0.59) OPRM1MEN1KMT2AKCNH2OPRD1
SCHEMBL5758139 0.79 OPRM1 (0.55) OPRM1HTTALDH1A1SMN1; SMN2KCNH2
SCHEMBL5753623 0.79 OPRM1 (0.53) OPRM1PKMHSD17B10ALDH1A1MEN1
SCHEMBL5753248 0.79 OPRM1 (0.74) OPRM1HTTMAPTALDH1A1KCNH2
SCHEMBL5753549 0.78 OPRM1 (0.55) OPRM1ALDH1A1SMN1; SMN2KCNH2RAB9A
SCHEMBL5755630 0.78 OPRM1 (0.59) OPRM1ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL5756818 0.78 OPRM1 (0.56) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755715 0.78 OPRM1 (0.52) OPRM1PKMALDH1A1SMN1; SMN2MEN1

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 1/4885PKM 4429/4885GAA 1753/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885PKM 4429/4885GAA 1753/4885

“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.