SCHEMBL5753248

SCHEMBL5753248

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCCc3ccccc3)CC21

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.74
KCNH2 Q12809 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.43
AR P10275 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
POLB P06746 1/20 0.39
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Succinic Acid SCHEMBL5753164 0.86 OPRM1 (0.89) OPRM1KCNH2OPRK1OPRD1ALDH1A1
SCHEMBL5757445 0.86 OPRM1 (0.59) OPRM1KCNH2OPRK1OPRD1PTPN2
SCHEMBL5755630 0.86 OPRM1 (0.59) OPRM1KCNH2OPRK1OPRD1PTPN2
Acetic Acid SCHEMBL5756411 0.85 OPRM1 (0.92) OPRM1KCNH2OPRK1OPRD1ALDH1A1
SCHEMBL5753484 0.85 OPRM1 (1.00) OPRM1KCNH2OPRK1OPRD1NR3C1
Hydrochloric Acid SCHEMBL5756166 0.84 OPRM1 (0.98) OPRM1KCNH2OPRK1OPRD1NR3C1
SCHEMBL5754539 0.84 OPRM1 (0.94) OPRM1KCNH2OPRK1OPRD1NR3C1
SCHEMBL5758139 0.83 OPRM1 (0.55) OPRM1KCNH2OPRK1OPRD1GRIN1
SCHEMBL5756455 0.83 OPRM1 (0.88) OPRM1KCNH2OPRK1OPRD1NR3C1
SCHEMBL5753549 0.82 OPRM1 (0.55) OPRM1KCNH2OPRK1OPRD1PTPN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP claimed
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP claimed
EP-1070049-B1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-06-30 EP claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
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
EP-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0161222-A2 Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed
EP-0001093-B1 ORGANOTIN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATE PRODUCTS FOR STABILISERS CIBA-GEIGY AG (CH) 1981-04-08 EP 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 3004/4885OPRK1 2/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885KCNH2 3004/4885OPRK1 2/4885

“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.