SCHEMBL8274286

SCHEMBL8274286

Cc1ccc(OCCF)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
DRD2 P14416 6/20 0.55
DRD4 P21917 6/20 0.55
DRD3 P35462 6/20 0.55
APP P05067 4/20 0.55
ALDH1A1 P00352 1/20 0.52
KCNH2 Q12809 2/20 0.47
TSPO P30536 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
WDR5 P61964 1/20 0.45

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
SCHEMBL2628228 1.00 L3MBTL1 (0.59) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL13925530 0.88 DRD2 (0.59) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL12585056 0.88 DRD2 (0.59) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL18475584 0.88 APP (0.74) L3MBTL1APPALDH1A1NPC1HPGD
SCHEMBL14153966 0.88 APP (0.54) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL10457449 0.87 APP (0.59) APPALDH1A1KCNH2
SCHEMBL22537466 0.87 APP (0.60) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL20170389 0.87 APP (0.60) L3MBTL1DRD2DRD4DRD3APP
SCHEMBL313373 0.85 DRD2 (0.64) L3MBTL1DRD2DRD4DRD3KCNH2
SCHEMBL5929468 0.82 DRD2 (0.68) L3MBTL1DRD2DRD4DRD3ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020140924-A1 DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO AΒ PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF 原子高科股份有限公司 2020-07-09 WO disclosed
WO-2018132636-A1 [18F]MALEIMIDE-BASED GLYCOGEN SYNTHASE KINASE-3BETA LIGANDS FOR POSITRON EMISSION TOMOGRAPHY IMAGING AND RADIOSYNTHESIS METHOD THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-07-19 WO disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-7935674-B2 Indole derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-7935674-B2 Indole derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20090258921-A1 INDOLE DERIVATIVES NOMURA SUMIHIRO 2009-10-15 US disclosed
US-20090258921-A1 INDOLE DERIVATIVES NOMURA SUMIHIRO 2009-10-15 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
US-20080119422-A1 Indole Derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-22 US disclosed
US-20080119422-A1 Indole Derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-22 US disclosed
WO-2006009653-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2006-01-26 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 (7 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-20090258921-A1 INDOLE DERIVATIVES IDO1, TPH1, NAT1 L3MBTL1 2915/4885DRD2 35/4885DRD4 61/4885
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 L3MBTL1 3333/4885DRD2 25/4885DRD4 68/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A L3MBTL1 3282/4885DRD2 2311/4885DRD4 3130/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS L3MBTL1 3157/4885DRD2 2515/4885DRD4 3346/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT L3MBTL1 3687/4885DRD2 3470/4885DRD4 3330/4885
US-20080119422-A1 Indole Derivatives IDO1, TPH1, NAT1 L3MBTL1 2915/4885DRD2 35/4885DRD4 61/4885
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 L3MBTL1 4657/4885DRD2 1097/4885DRD4 1245/4885

“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.