SCHEMBL4591569

SCHEMBL4591569

COc1ccc(-c2ccc(CCC3OCCO3)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.47
HTR2A P28223 6/20 0.45
CHRM1 P11229 3/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GBA1 P04062 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17826982 0.74 MAPT (0.56) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL4592220 0.73 MCHR1 (0.55) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL13573674 0.73 NPC1 (0.55) NPC1RAB9AGBA1GLA
SCHEMBL4591645 0.72 MCHR1 (0.48) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL5431764 0.70 MCHR1 (0.55) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL4591929 0.67 MCHR1 (0.79) MCHR1HTR2ACHRM1RAB9AALDH1A1
SCHEMBL2886325 0.67 MAPT (0.59) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9629460 0.66 MAPT (0.59) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL30661712 0.66 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL29105359 0.66 NPC1 (0.62) NPC1RAB9AMAPTSMN1; 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 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 1/4885HTR2A 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.