SCHEMBL5752701

SCHEMBL5752701

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)c3cc4ccccc4o3)CC21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL5756818 0.81 OPRM1 (0.56) OPRM1HRH4L3MBTL1CA12CA1
SCHEMBL5754131 0.80 OPRM1 (0.60) OPRM1CA2CA9KCNH2OPRD1
SCHEMBL5752273 0.75 OPRM1 (0.67) OPRM1ALDH1A1SMN1; SMN2POLBKCNH2
SCHEMBL5753248 0.74 OPRM1 (0.74) OPRM1ALDH1A1POLBMAPTNPSR1
SCHEMBL5755333 0.74 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL5755338 0.74 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL5754990 0.73 OPRM1 (0.51) OPRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5754986 0.73 OPRM1 (0.51) OPRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5755550 0.72 OPRM1 (0.78) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5756918 0.72 OPRM1 (0.57) OPRM1ALDH1A1SMN1; SMN2POLBKCNH2

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 1/4885RAB9A 3072/4885ALDH1A1 70/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885RAB9A 3072/4885ALDH1A1 70/4885

“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.