SCHEMBL4592135

SCHEMBL4592135

O=Cc1ccc(OCCCc2ccc(Oc3ccccc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.51
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
LTA4H P09960 2/20 0.40
BCAT2 O15382 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
SCHEMBL4591138 0.85 ALDH1A1 (0.44) MCHR1CHRM1HTR2AALDH1A1KDM4E
SCHEMBL4591505 0.82 MCHR1 (0.67) MCHR1CHRM1HTR2AALDH1A1LTA4H
SCHEMBL3562374 0.76 KCNA3 (0.64) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4600987 0.76 BCAT2 (0.47) MCHR1CHRM1HTR2AALDH1A1SMN1; SMN2
SCHEMBL8392921 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL2233399 0.73 HPGD (0.58) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL947314 0.73 FFAR1 (0.59) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL31556429 0.72 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL510519 0.72 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL8204704 0.70 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT

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 6 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
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US 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
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.