SCHEMBL5273045

SCHEMBL5273045

Cc1ccc(Br)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CYP3A4 P08684 3/20 0.32
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL28584478 0.82 HTR2A (0.41) HTR2BHTR2AHTR2CLMNA
SCHEMBL477584 0.82 CYP3A4 (0.41) ALDH1A1HTR2BCYP3A4CHRM1ALOX15
SCHEMBL29403294 0.82 CYP3A4 (0.41) ALDH1A1HTR2BCYP3A4CHRM1ALOX15
SCHEMBL4448667 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4
Water SCHEMBL28514557 0.78 CYP3A4 (0.39) ALDH1A1HTR2BCYP3A4CHRM1ALOX15
SCHEMBL20137111 0.77 CYP3A4 (0.37) ALDH1A1HTR2BCYP3A4CHRM1ALOX15
SCHEMBL2892194 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19472050 0.77 CYP3A4 (0.38) ALDH1A1CYP3A4
SCHEMBL13235165 0.77 ALDH1A1 (0.33) ALDH1A1HTR2BHTR2AHTR2C
SCHEMBL31469117 0.77 ALDH1A1 (0.33) ALDH1A1HTR2BHTR2AHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
US-9926337-B2 Substituted asymmetric ureas as modulators of ghrelin receptor activity HELSINN HEALTHCARE SA (CH) 2018-03-27 US disclosed
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-05-25 US disclosed
US-9546157-B2 Asymmetric piperidinyl-substituted ureas as medicines HELSINN HEALTHCARE SA (CH) 2017-01-17 US disclosed
US-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2015-09-10 US disclosed
EP-1841740-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 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 (2 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-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof UTS2R, GIPR, GPR119 ALDH1A1 2353/4885HTR2B 549/4885HTR2A 410/4885
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GHSR, GPR119 ALDH1A1 1977/4885HTR2B 545/4885HTR2A 481/4885

“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.