SCHEMBL4591983

SCHEMBL4591983

CCN(CC)CCc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.49
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.41
CETP P11597 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL4592113 0.79 KDM4E (0.44) MCHR1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4011480 0.76 KDR (0.62) MCHR1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4005248 0.71 KDR (0.58) MCHR1SMN1; SMN2NPC1RAB9A
SCHEMBL13683468 0.70 MCHR1 (0.40) MCHR1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL13656220 0.70 MCHR1 (0.49) MCHR1KMT2AMAPTMEN1GAA
SCHEMBL13656219 0.70 MCHR1 (0.43) MCHR1SMN1; SMN2ALDH1A1
SCHEMBL4009917 0.70 BRD4 (0.56) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL4009231 0.70 KMT2A (0.45) MCHR1KMT2AMAPTMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL3858490 0.70 MCHR1 (0.39) MCHR1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL21084026 0.70 MAPT (0.67) KMT2AMAPTMEN1SMN1; SMN2HTT

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 1/4885KMT2A 474/4885MAPT 4641/4885

“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.