SCHEMBL5675810

SCHEMBL5675810

O=C(O)C1CC1c1cc(F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
KDM1B Q8NB78 1/20 0.56
GPR88 Q9GZN0 1/20 0.44
HTT P42858 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
FFAR1 O14842 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
DPP4 P27487 1/20 0.39
TBXA2R P21731 1/20 0.38

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
SCHEMBL10288626 1.00 KDM1A (0.56) KDM1AKDM1BGPR88HTTCYP4F2
SCHEMBL10288349 1.00 KDM1A (0.56) KDM1AKDM1BGPR88HTTCYP4F2
SCHEMBL11902614 0.86 HTR2A (0.49) KDM1AKDM1BGPR88HTTCYP4F2
SCHEMBL15541789 0.86 HTR2A (0.49) KDM1AKDM1BGPR88HTTCYP4F2
SCHEMBL11902326 0.86 HTR2A (0.49) KDM1AKDM1BGPR88HTTCYP4F2
SCHEMBL29302274 0.85 SLC9A1 (0.48) KDM1AKDM1BCYP4F2CYP4A11FFAR1
SCHEMBL30997775 0.85 SLC9A1 (0.48) KDM1AKDM1BCYP4F2CYP4A11FFAR1
SCHEMBL14690279 0.83 KDM1A (0.42) KDM1AKDM1BCYP4F2CYP4A11FFAR1
SCHEMBL17003046 0.83 KDM1A (0.42) KDM1AKDM1BCYP4F2CYP4A11FFAR1
SCHEMBL924813 0.83 KDM1A (0.38) KDM1AKDM1BGPR88HTTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP claimed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP claimed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-3046922-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-07-27 EP disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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 (4 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM1A 696/4885KDM1B 827/4885GPR88 2135/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM1A 701/4885KDM1B 818/4885GPR88 2127/4885
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 KDM1A 441/4885KDM1B 557/4885GPR88 604/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 KDM1A 2897/4885KDM1B 1673/4885GPR88 103/4885

“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.