SCHEMBL4591932

SCHEMBL4591932

CCOc1ccc(CCCN)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
HRH1 P35367 1/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 3/20 0.33
SLC5A2 P31639 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
NQO1 P15559 1/20 0.30

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
SCHEMBL4591834 0.87 NPC1 (0.37) HTTHRH1FFAR1MAPTSLC5A2
SCHEMBL4592482 0.84 NNMT (0.39) HTTHRH1FFAR1SMN1; SMN2LMNA
SCHEMBL16853290 0.79 HRH1 (0.42) HRH1FFAR1MAPK1RAB9ATP53
SCHEMBL4600964 0.78 ACACB (0.36) HRH1SLC5A2
SCHEMBL4592109 0.78 MCHR1 (0.47) HTTHRH1FFAR1MAPTSMN1; SMN2
SCHEMBL14190878 0.77 HTT (0.45) HTTMAPTSLC5A2SMN1; SMN2L3MBTL1
SCHEMBL4266171 0.77 HTT (0.53) HTTMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4592169 0.75 MAOB (0.47) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL19364256 0.74 HTT (0.42) HTTMAPTSLC5A2SMN1; SMN2ALDH1A1
SCHEMBL4591085 0.73 BCAT2 (0.53) HRH1MEN1KMT2A

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 HTT 582/4885HRH1 121/4885FFAR1 183/4885

“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.