SCHEMBL44250

SCHEMBL44250

ClCCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
HTR2A P28223 1/20 0.56
CYP2A6 P11509 1/20 0.44
IDO1 P14902 3/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL9553087 0.93 TAAR1 (0.50) TAAR1HTR2ACYP2A6IDO1KDM4E
SCHEMBL9860834 0.85 GFER (0.42) TAAR1HTR2ACYP2A6KDM4EALDH1A1
SCHEMBL7961204 0.84 TAAR1 (0.52) TAAR1HTR2ACYP2A6IDO1
SCHEMBL626076 0.82 TAAR1 (0.68) TAAR1HTR2ACYP2A6IDO1ALDH1A1
SCHEMBL28594032 0.80 TAAR1 (0.48) TAAR1HTR2AKDM4EALDH1A1
SCHEMBL9552832 0.77 TAAR1 (0.45) TAAR1HTR2AALDH1A1
SCHEMBL926010 0.77
SCHEMBL9552844 0.77 MAOB (0.46) TAAR1
SCHEMBL7904900 0.77 TAAR1 (0.62) TAAR1HTR2ACYP2A6IDO1
SCHEMBL9192375 0.77 CA2 (0.42) TAAR1HTR2ACYP2A6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
EP-2850084-B1 PYRAZOLE COMPOUNDS AS SGLT1 INHIBITORS LILLY CO ELI (US) 2016-06-15 EP disclosed
EP-3016946-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2016-05-11 EP disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 WO disclosed
EP-2702059-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2014-03-05 EP disclosed
WO-2012146659-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-11-01 WO disclosed
US-20040030189-A1 Compounds having fungicidal activity and processes to make and use same RASMUSSEN KLITTICH CARLA JEAN (US) 2004-02-12 US disclosed
EP-1343761-A1 PIPERIDINE MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY Schering Corporation (US) 2003-09-17 EP disclosed
EP-1341534-A2 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME Dow AgroSciences LLC (US) 2003-09-10 EP disclosed
US-6472394-B1 MCH antagonists and their use in the treatment of obesity SCHERING CORPORATION 2002-10-29 US disclosed
WO-2002051809-A1 PIPERIDINE MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2002-07-04 WO disclosed
WO-2002040431-A2 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2002-05-23 WO disclosed
EP-0266662-B1 PROCESS FOR THE PREPARATION OF POLY(ARYLENSULPHIDES) WITH LOWER CRYSTALLIZATION TEMPERATURE BAYER AG (DE) 1992-06-10 EP disclosed
EP-0336240-A2 Poly(arylene sulphides) with lowered temperature of crystallization and process for preparing them BAYER AG (DE) 1989-10-11 EP disclosed
US-4824933-A DIMENSIONAL STABILITY, CHEMICAL RESISTANT BAYER AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
EP-0266662-A2 Process for the preparation of poly(arylensulphides) with lower crystallization temperature BAYER AG (DE) 1988-05-11 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 (1 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-20040030189-A1 Compounds having fungicidal activity and processes to make and use same CYP51A1, DDT, CYP4X1 TAAR1 4228/4885HTR2A 4788/4885CYP2A6 52/4885

“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.