SCHEMBL2554375

SCHEMBL2554375

O=C1Cc2ccccc2N1C1CC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.69
OPRK1 P41145 14/20 0.69
OPRL1 P41146 14/20 0.69
CHRNB4 P30926 1/20 0.65
CHRNA3 P32297 1/20 0.65

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
SCHEMBL28667548 0.93 OPRM1 (0.80) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL9837438 0.93 OPRM1 (0.75) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL30364082 0.92 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL19691160 0.92 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL13361543 0.92 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL828730 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL5427154 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL19410694 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL29809539 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL10316251 0.88 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-A The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-104788328-B The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-09-12 CN disclosed
CN-103641765-B ATP-combines the adjusting control agent of cassette transporters 沃泰克斯药物股份有限公司 2016-08-17 CN disclosed
CN-101935301-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2013-10-16 CN disclosed
EP-2556070-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES University Health Network (CA) 2013-02-13 EP disclosed
WO-2011123947-A8 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-12-22 WO disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 WO disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
US-7205328-B2 Aids viricide IRM LLC (BM) 2007-04-17 US disclosed
US-20040152755-A1 Oxindoles with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-05 US disclosed
WO-2004037247-A1 OXINDOLES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 WO disclosed
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS OPRM1 2225/4885OPRK1 1742/4885OPRL1 3976/4885
US-20040152755-A1 Oxindoles with anti-HIV activity IDO1, API5, NFATC1 OPRM1 62/4885OPRK1 16/4885OPRL1 223/4885

“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.