SCHEMBL4592126

SCHEMBL4592126

OCc1ccc(OCCCc2ccc(-c3ccc(Cl)cc3)nn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.69
HTR2A P28223 10/20 0.69
CHRM1 P11229 8/20 0.69
KCNH2 Q12809 1/20 0.49
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AGER Q15109 1/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38

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
SCHEMBL4591605 0.87 MCHR1 (0.67) MCHR1HTR2ACHRM1MAPTMEN1
SCHEMBL5431764 0.87 MCHR1 (0.55) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL10998671 0.79 KCNH2 (0.51) KCNH2SMN1; SMN2MEN1KMT2A
SCHEMBL12658869 0.76 CYP2D6 (0.53) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL11004834 0.74 FFAR1 (0.50) KCNH2SMN1; SMN2MEN1KMT2A
SCHEMBL9239946 0.74 L3MBTL1 (0.52) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL5356803 0.74 L3MBTL1 (0.52) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL11005147 0.74 MAOB (0.50) KCNH2MEN1KMT2A
SCHEMBL11005065 0.73 KMT2A (0.50) KCNH2SMN1; SMN2MEN1KMT2A
SCHEMBL4592191 0.73 MCHR1 (0.48) MCHR1HTR2ACHRM1KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
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 1/4885HTR2A 66/4885CHRM1 84/4885

“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.