SCHEMBL506299

SCHEMBL506299

Cc1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21182267 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL26401540 0.84 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL21921098 0.84 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL13020439 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL20231023 0.82 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL26401405 0.82 HTT (0.43) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL26401534 0.81 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL20089414 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL20037956 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL22043316 0.78 CACNA1I (0.40) CHRNB2CHRNA4ALDH1A1MAPTCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142878-B1 PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-06-26 EP disclosed
US-20230212123-A1 Pyridine Inhibitors of Glucosylceramide Synthase and Therapeutic Methods Using the Same UNIV MICHIGAN REGENTS (US) 2023-07-06 US disclosed
WO-2021221953-A1 PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-04 WO disclosed
CN-108137579-A Bridging piperidine derivative 豪夫迈·罗氏有限公司 2018-06-08 CN disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-2010493-B1 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-27 EP disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-2010493-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
WO-2007120729-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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 (6 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CHRNB2 245/4885CHRNA4 122/4885CHRNB1 416/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A CHRNB2 485/4885CHRNA4 436/4885CHRNB1 696/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CHRNB2 442/4885CHRNA4 414/4885CHRNB1 557/4885
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G CHRNB2 245/4885CHRNA4 380/4885CHRNB1 457/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 CHRNB2 4314/4885CHRNA4 4266/4885CHRNB1 3432/4885
US-20230212123-A1 Pyridine Inhibitors of Glucosylceramide Synthase and Therapeutic Methods Using the Same GBA1, GAA, GBA2 CHRNB2 3138/4885CHRNA4 2765/4885CHRNB1 3133/4885

“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.