SCHEMBL4479846

SCHEMBL4479846

CS(=O)(=O)OCCOc1ccc(C#Cc2ncc(-c3ccc(Cl)cc3)cc2F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
CHRM1 P11229 2/20 0.47
HTR2A P28223 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR4 O95977 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ALPL P05186 1/20 0.32
VCP P55072 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
SCHEMBL4485395 0.90 MCHR1 (0.48) MCHR1CHRM1HTR2APTGDR2S1PR4
SCHEMBL4475257 0.87 MCHR1 (0.61) MCHR1CHRM1HTR2A
SCHEMBL4492887 0.86 MCHR1 (0.50) MCHR1CHRM1HTR2APTGDR2SMN1; SMN2
SCHEMBL4487592 0.81 MCHR1 (0.47) MCHR1CHRM1HTR2A
SCHEMBL4477263 0.78 MCHR1 (0.78) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL4487952 0.77 MCHR1 (0.59) MCHR1CHRM1HTR2A
SCHEMBL4465117 0.77 MCHR1 (0.48) MCHR1CHRM1HTR2A
SCHEMBL4486432 0.76 MCHR1 (0.52) MCHR1CHRM1HTR2APTGDR2KDM4E
SCHEMBL4491986 0.75 MCHR1 (0.53) MCHR1CHRM1HTR2ASMN1; SMN2KDM4E
SCHEMBL4482386 0.75 MCHR1 (0.54) MCHR1CHRM1HTR2ASMN1; SMN2KDM4E

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
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1740572-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103031-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US 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-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 MCHR1 1/4885CHRM1 47/4885HTR2A 141/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 125/4885HTR2A 161/4885

“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.