SCHEMBL1023049

SCHEMBL1023049

Clc1cccc(C2CO2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
P2RX7 Q99572 2/20 0.36
PNMT P11086 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP2A13 Q16696 1/20 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
SCHEMBL7054472 0.84 CYP3A4 (0.36) HTR2AHTR2CHTR2BTSHR
SCHEMBL29560858 0.82 TAAR1 (0.47) HTR2AHTR2CHTR2BKMT2ATSHR
SCHEMBL2843202 0.82 TAAR1 (0.47) HTR2AHTR2CHTR2BKMT2ATSHR
SCHEMBL938227 0.82 TAAR1 (0.47) HTR2AHTR2CHTR2BKMT2ATSHR
SCHEMBL29560461 0.82 TAAR1 (0.47) HTR2AHTR2CHTR2BKMT2ATSHR
SCHEMBL4292448 0.82 TAAR1 (0.47) HTR2AHTR2CHTR2BKMT2ATSHR
SCHEMBL13140491 0.79 HTR2C (0.36) HTR2AHTR2CHTR2BTSHRTAAR1
SCHEMBL7055337 0.79 ALDH1A1 (0.42) HTR2AHTR2CHTR2BTSHRTAAR1
SCHEMBL13264557 0.79 OPRL1 (0.38) HTR2CHTR2BTSHRTAAR1CYP2A13
SCHEMBL29178616 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BMEN1GAA

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
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 US disclosed
EP-2678017-B1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-04-05 EP disclosed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 US disclosed
US-8658797-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2014-02-25 US disclosed
US-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 US disclosed
WO-2012116176-A2 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 WO disclosed
US-20030124693-A1 Enzymatic conversion of epoxides RIJKSUNIVERSITEIT GRONINGEN (NL) 2003-07-03 US disclosed
EP-0611826-B1 Processes for production of optically active epoxides DAICEL CHEM (JP) 2003-05-02 EP disclosed
EP-1287155-A1 ENZYMATIC CONVERSION OF EPOXIDES Rijksuniversiteit Groningen (NL) 2003-03-05 EP disclosed
US-6515023-B2 For inhibiting the aggregation of blood platelets; 3-(4-Aminomethyl-phenyl)-1-(2-(3,4-dichloro-phenyl)-2-hydroxy-ethyl)-1 -isopropyl-urea for example MERCK & CO., INC. 2003-02-04 US disclosed
US-20020007045-A1 Thrombin receptor antagonists MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001090397-A1 ENZYMATIC CONVERSION OF EPOXIDES RIJKSUNIVERSITEIT GRONINGEN (NL) 2001-11-29 WO disclosed
EP-1158054-A1 Enzymatic conversion of epoxides Rijksuniversiteit te Groningen (NL) 2001-11-28 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
US-5672504-A TREATING MIXED EPOXIDE ENANTIOMORPHS WITH MICROORGANISMS TO INCREASE CONCENTRATION OF OPTICALLY PURE S-ENANTIOMORPHS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-30 US disclosed
EP-0611826-A2 Processes for production of optically active epoxides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 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-20020007045-A1 Thrombin receptor antagonists F2R, TBXA2R, PTAFR HTR2A 663/4885HTR2C 1280/4885HTR2B 499/4885
US-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885HTR2B 729/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885HTR2B 729/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR HTR2A 619/4885HTR2C 840/4885HTR2B 729/4885

“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.