SCHEMBL4591505

SCHEMBL4591505

OCc1ccc(OCCCc2ccc(Oc3ccccc3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.67
CHRM1 P11229 1/20 0.67
HTR2A P28223 1/20 0.57
LTA4H P09960 3/20 0.51
PPARG P37231 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.42
FFAR1 O14842 1/20 0.42
BCAT2 O15382 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2993288 0.86 MCHR1 (0.57) MCHR1CHRM1HTR2ALTA4HPPARG
SCHEMBL4591781 0.86 MCHR1 (0.52) MCHR1CHRM1HTR2ALTA4HCYSLTR1
SCHEMBL4592135 0.82 MCHR1 (0.53) MCHR1CHRM1HTR2ALTA4HBCAT2
SCHEMBL10269398 0.76 LTA4H (0.67) LTA4HPPARGFFAR1ALDH1A1RECQL
SCHEMBL8618329 0.76 LTA4H (0.67) LTA4HCYSLTR1FFAR1ALDH1A1RECQL
SCHEMBL4591085 0.76 BCAT2 (0.53) MCHR1CHRM1HTR2ALTA4HBCAT2
SCHEMBL2998965 0.75 MCHR1 (0.47) MCHR1CHRM1HTR2ALTA4HPPARG
SCHEMBL3009333 0.75 LTA4H (0.65) MCHR1CHRM1HTR2ALTA4H
SCHEMBL8392892 0.75 FFAR1 (0.68) LTA4HPPARGFFAR1
SCHEMBL8390278 0.74 LTA4H (0.69) LTA4HCYSLTR1FFAR1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 84/4885HTR2A 66/4885

“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.