SCHEMBL10177543

SCHEMBL10177543

CCC1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
LSS P48449 2/20 0.45
IDO1 P14902 1/20 0.44
CYP2C9 P11712 3/20 0.44
ESR2 Q92731 2/20 0.44
HTR3A P46098 1/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC2A1 P11166 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SRD5A1 P18405 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC18A3 Q16572 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 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
SCHEMBL10982191 1.00 DRD2 (0.56) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8015280 0.94 DRD2 (0.51) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL7508508 0.94 DRD2 (0.51) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8029049 0.94 DRD2 (0.51) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8015276 0.94 DRD2 (0.51) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8029040 0.94 DRD2 (0.51) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8453164 0.90 DRD2 (0.47) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8453170 0.90 DRD2 (0.47) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL8453175 0.90 DRD2 (0.47) DRD2LSSIDO1CYP2C9ESR2
SCHEMBL11187444 0.89 ESR2 (0.52) DRD2CYP2C9ESR2ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 US disclosed
EP-3331965-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 WO disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
EP-2366756-A2 Liquid Crystal Composition and Liquid Crystal Display Element JNC Corporation (JP) 2011-09-21 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
EP-2182044-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-05-05 EP disclosed
EP-2182043-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-05-05 EP disclosed
EP-2116587-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-11 EP disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US disclosed
WO-2008116029-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-09-25 WO disclosed
EP-0074608-B1 LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM MERCK PATENT GmbH (DE) 1985-07-03 EP disclosed
US-4490305-A Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0074608-A2 Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them MERCK PATENT GmbH (DE) 1983-03-23 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 (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-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP DRD2 3214/4885LSS 110/4885IDO1 533/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 DRD2 760/4885LSS 3232/4885IDO1 357/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 DRD2 800/4885LSS 4400/4885IDO1 62/4885
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 DRD2 3588/4885LSS 4677/4885IDO1 3644/4885

“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.