SCHEMBL2303288

SCHEMBL2303288

OC1(Cc2ccccc2)CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
AVPR1A P37288 1/20 0.42
CYP46A1 Q9Y6A2 3/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 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
SCHEMBL23343753 0.85 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL735823 0.81 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL4206116 0.81 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL2192517 0.79 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL2346342 0.79 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL2192474 0.79 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL8328357 0.78 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL7802826 0.78 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL27547429 0.77 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL613290 0.76 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653295-B2 Protease inhibitor; viricide BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US claimed
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-04-03 US claimed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-6653295-B2 Protease inhibitor; viricide BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US disclosed
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-04-03 US disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 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-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease PRSS1, SERPINB1, SPINT2 OPRL1 4329/4885OPRM1 4109/4885OPRD1 3418/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I OPRL1 132/4885OPRM1 351/4885OPRD1 197/4885

“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.