SCHEMBL3386536

SCHEMBL3386536

CC(C)(C)[Si](C)(C)OC(CN)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
NOS2 P35228 1/20 0.39
CA2 P00918 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL3386613 1.00 TAAR1 (0.41) TAAR1HTR2ACHRNB2CHRNA4SLC6A2
SCHEMBL3386535 1.00 TAAR1 (0.41) TAAR1HTR2ACHRNB2CHRNA4SLC6A2
SCHEMBL23354701 0.85 CA2 (0.35) CA2
SCHEMBL23354817 0.83 CFTR (0.38) SLC6A2SLC6A4SLC6A3CA2
SCHEMBL8405099 0.83 GSR (0.44) SLC6A2SLC6A4SLC6A3CA2AOC3
SCHEMBL14984000 0.83 GSR (0.44) SLC6A2SLC6A4SLC6A3CA2AOC3
SCHEMBL1739510 0.83 GSR (0.44) SLC6A2SLC6A4SLC6A3CA2AOC3
SCHEMBL7151617 0.82 TAAR1 (0.47) TAAR1HTR2ACHRNB2CHRNA4SLC6A2
SCHEMBL9626551 0.82 TAAR1 (0.47) TAAR1HTR2ACHRNB2CHRNA4SLC6A2
SCHEMBL7392343 0.82 AOC3 (0.46) CHRNB2CHRNA4SLC6A4NOS2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126006-A1 CATIONIC LIPID CONTAINING FUNCTIONAL GROUP ON SIDE CHAIN, AND USE THEREOF 厦门赛诺邦格生物科技股份有限公司 2023-07-06 WO disclosed
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-1864995-B1 BETA-LACTAMIC RGD CYCLOPEPTIDES CONTAINING GAMMA TURNS UNIV PAIS VASCO (ES) 2010-12-08 EP disclosed
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PEDREGAL-TERCERO CONCEPCION 2009-01-22 US disclosed
US-7399774-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1864995-A1 BETA-LACTAMIC RGD CYCLOPEPTIDES CONTAINING GAMMA TURNS UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO UNIBERSITATEA (ES) 2007-12-12 EP disclosed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5089609-A 4-benzoyl azetidinones SCHERING CORPORATION (US) 1992-02-18 US disclosed
US-5008404-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1991-04-16 US disclosed
US-4963670-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1990-10-16 US disclosed
US-4827006-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4740595-A Preparation of azetidinones via N-protected oxirancecarboxamide intermediates SCHERING CORPORATION (US) 1988-04-26 US disclosed
EP-0238252-A2 Preparation of azetidinones and intermediates SCHERING CORPORATION (US) 1987-09-23 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 (1 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-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 TAAR1 336/4885HTR2A 753/4885CHRNB2 170/4885

“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.