SCHEMBL12868655

SCHEMBL12868655

CC(C)c1ccc(Cl)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
KCNH2 Q12809 3/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
LPAR1 Q92633 3/20 0.37
APP P05067 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
PDE2A O00408 2/20 0.34

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
SCHEMBL12356955 0.86 KCNK3 (0.39) CNR2LMNATP53HTTKCNK3
SCHEMBL12418427 0.84 MARS1 (0.38) CNR2LMNATP53HTTKCNK3
SCHEMBL22931242 0.83 CNR2 (0.36) CNR2LMNATP53HTTKCNH2
SCHEMBL24910322 0.80 PDE2A (0.48) KCNK3KCNK9SLC6A4PDE2A
SCHEMBL12868968 0.80 KCNK3 (0.43) KCNK3KCNK9KCNH2SLC6A4APP
SCHEMBL12889908 0.80 KCNK3 (0.40) LMNAHTTKCNK3KCNK9APP
SCHEMBL8737478 0.80 LMNA (0.46) LMNA
SCHEMBL12868653 0.79 HRH4 (0.43) KCNK3KCNK9SLC6A4LPAR1GABRA1
SCHEMBL16961960 0.79 KCNK3 (0.39) KCNK3KCNK9APPPDE2A
SCHEMBL3898699 0.78 KCNK3 (0.36) KCNK3KCNK9KCNH2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same DEUTERX, LLC (US) 2022-12-27 US disclosed
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof VENTUS THERAPEUTICS U.S., INC. (US) 2022-05-03 US disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 (13 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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX CNR2 268/4885LMNA 382/4885TP53 3625/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CNR2 835/4885LMNA 170/4885TP53 1637/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CNR2 835/4885LMNA 170/4885TP53 1637/4885
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 CNR2 194/4885LMNA 3803/4885TP53 1864/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 CNR2 3690/4885LMNA 4548/4885TP53 4201/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 CNR2 930/4885LMNA 712/4885TP53 2203/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 CNR2 517/4885LMNA 416/4885TP53 3468/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CNR2 835/4885LMNA 170/4885TP53 1637/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 CNR2 3690/4885LMNA 4548/4885TP53 4201/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CNR2 835/4885LMNA 170/4885TP53 1637/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH CNR2 703/4885LMNA 4273/4885TP53 3847/4885
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same EGLN3, HPGDS, EGLN2 CNR2 194/4885LMNA 3803/4885TP53 1864/4885
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof NLRP3, NLRP1, PYCARD CNR2 4573/4885LMNA 945/4885TP53 1053/4885

“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.