SCHEMBL4591834

SCHEMBL4591834

CCCOc1ccc(CCCN)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SLC5A2 P31639 5/20 0.35
CSNK2A1 P68400 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH1 P35367 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL4591932 0.87 HTT (0.39) NPC1RAB9ASLC5A2SMN1; SMN2HRH1
SCHEMBL16853290 0.83 HRH1 (0.42) RAB9AHRH1FFAR1KDM4ETP53
SCHEMBL4592482 0.81 NNMT (0.39) SMN1; SMN2HRH1FFAR1KDM4EALDH1A1
SCHEMBL4269009 0.78 NPC1 (0.45) NPC1RECQLRAB9ACSNK2A1SMN1; SMN2
SCHEMBL4600964 0.75 ACACB (0.36) SLC5A2HRH1
SCHEMBL4592109 0.75 MCHR1 (0.47) RAB9ASMN1; SMN2HRH1FFAR1ALDH1A1
SCHEMBL15071681 0.73 NPC1 (0.35) NPC1RECQLRAB9ASLC5A2SMN1; SMN2
SCHEMBL4592169 0.73 MAOB (0.47) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL4273729 0.72 RAB9A (0.56) NPC1RECQLRAB9ASMN1; SMN2KDM4E
SCHEMBL2947144 0.72 MCHR1 (0.47) NPC1RECQLRAB9ACSNK2A1SMN1; SMN2

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 NPC1 1939/4885RECQL 1703/4885RAB9A 2707/4885

“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.