SCHEMBL714527

SCHEMBL714527

O=C1CCC[C@H](c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
ESR2 Q92731 1/20 0.49
SLC18A3 Q16572 2/20 0.46
SRD5A1 P18405 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL715591 1.00 MAPT (0.59) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL714528 1.00 MAPT (0.59) MAPTGAAESR2SLC18A3SRD5A1
Ethylene SCHEMBL27953915 0.96 MAPT (0.55) MAPTGAAESR2SLC18A3SRD5A1
Hydrochloric Acid SCHEMBL9482313 0.96 MAPT (0.55) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL2312546 0.94 MAPT (0.57) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL18980773 0.94 MAPT (0.57) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL31252385 0.92 MAPT (0.55) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL29683554 0.92 MAPT (0.55) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL3446977 0.92 MAPT (0.55) MAPTGAAESR2SLC18A3SRD5A1
SCHEMBL19524597 0.91 MAPT (0.50) MAPTGAAESR2SLC18A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
CN-103724328-B Cyclic pyrimidin-4-the methane amide of inflammation, asthma and COPD is used for the treatment of as CCR2 receptor antagonist BOEHRINGER INGELHEIM INT (DE) 2015-10-14 CN disclosed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
CN-101970394-B Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2015-05-27 CN disclosed
EP-2513086-B1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
EP-1595887-B1 Chiral C2-symmetric biphenyls, preparation thereof as well as metal complexes containing these ligands and the use as catalysts in chirogene synthesis CONSORTIUM ELEKTROCHEM IND (DE) 2006-10-25 EP disclosed
EP-1595887-A1 Chiral C2-symmetric biphenyls, preparation thereof as well as metal complexes containing these ligands and the use as catalysts in chirogene synthesis Consortium für elektrochemische Industrie GmbH (DE) 2005-11-16 EP disclosed
US-20050250951-A1 Chiral C2-symmetric biphenyls, their preparation and also metal complexes in which these ligands are present and their use as catalysts in chirogenic syntheses CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2005-11-10 US disclosed
US-6878665-B2 Diphosphines, their complexes with transisition metals and their use in asymmetric synthesis SYNKEM (FR) 2005-04-12 US disclosed
EP-1436304-B1 NOVEL DISPHOSPINES, THEIR COMPLEXES WITH TRANSITION METALS AND THEIR USE IN ASYMMETRIC SYNTHESIS SYNKEM (FR) 2005-03-09 EP disclosed
US-20040260101-A1 Novel diphosphines, their complexes with transisition metals and their use in asymmetric synthesis SYNKEM (FR) 2004-12-23 US disclosed
EP-1436304-A1 NOVEL DISPHOSPINES, THEIR COMPLEXES WITH TRANSITION METALS AND THEIR USE IN ASYMMETRIC SYNTHESIS Synkem (FR) 2004-07-14 EP disclosed
WO-2003029259-A1 NOVEL DISPHOSPINES, THEIR COMPLEXES WITH TRANSITION METALS AND THEIR USE IN ASYMMETRIC SYNTHESIS SYNKEM (FR) 2003-04-10 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 MAPT 4609/4885GAA 4503/4885ESR2 776/4885
US-20040260101-A1 Novel diphosphines, their complexes with transisition metals and their use in asymmetric synthesis TPI1, TCP1, TTI2 MAPT 4575/4885GAA 3078/4885ESR2 2970/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP MAPT 4833/4885GAA 43/4885ESR2 1439/4885
US-20050250951-A1 Chiral C2-symmetric biphenyls, their preparation and also metal complexes in which these ligands are present and their use as catalysts in chirogenic syntheses C1S, C2CD5, COASY MAPT 3142/4885GAA 4237/4885ESR2 2841/4885

“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.