SCHEMBL715591

SCHEMBL715591

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
SCHEMBL714527 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis THE UNIVERSITY OF CHICAGO (US) 2018-11-06 US disclosed
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
CN-106866736-A A kind of central chirality-axial chirality electron deficient biphosphine ligand and its synthesis and application 中国科学院大连化学物理研究所 2017-06-20 CN disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
EP-2576538-B1 New CCR2 antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-20100022800-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUPS KYOEISHA CHEMICAL CO., LTD. (JP) 2010-01-28 US disclosed
US-20100022800-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUPS KYOEISHA CHEMICAL CO., LTD. (JP) 2010-01-28 US disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
EP-2050776-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUP Kyoeisha Chemical Co., Ltd. (JP) 2009-04-22 EP disclosed
EP-2050776-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUP Kyoeisha Chemical Co., Ltd. (JP) 2009-04-22 EP 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
US-20050288523-A1 Chiral diphosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2005-12-29 US disclosed
EP-1595885-A2 Chiral diphosphorus compounds and their transition metal complexes Lanxess Deutschland GmbH (DE) 2005-11-16 EP 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-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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY MAPT 4198/4885GAA 3381/4885ESR2 1433/4885
US-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 MAPT 3341/4885GAA 2737/4885ESR2 2844/4885
US-20100022800-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUPS PCBP1, PARG, PHOSPHO1 MAPT 2569/4885GAA 2906/4885ESR2 3797/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY MAPT 4198/4885GAA 3381/4885ESR2 1433/4885
US-20050288523-A1 Chiral diphosphorus compounds and transition metal complexes thereof PIN1, CDIPT, DDT MAPT 2785/4885GAA 3504/4885ESR2 3110/4885

“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.