SCHEMBL4591756

SCHEMBL4591756

OC1CCN(Cc2ccc(CCC#Cc3ccc(OCc4ccccc4)nn3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.58
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
CD274 Q9NZQ7 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 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
SCHEMBL5426055 0.80 MCHR1 (0.79) MCHR1RAB9ANPC1CD274BCHE
SCHEMBL3008681 0.76 MCHR1 (0.70) MCHR1RAB9ANPC1CD274BCHE
SCHEMBL3003570 0.73 MCHR1 (0.66) MCHR1RAB9ANPC1HRH3MEN1
SCHEMBL4758305 0.73 NPC1 (1.00) RAB9ANPC1HRH3ACHETP53
SCHEMBL3002921 0.72 NPC1 (0.42) MCHR1RAB9ANPC1HRH3TP53
SCHEMBL10970764 0.71 RAB9A (0.92) RAB9ANPC1HRH3ACHETP53
SCHEMBL13213000 0.71 MCHR1 (0.61) MCHR1RAB9ANPC1CD274BCHE
SCHEMBL13212992 0.71 MCHR1 (0.63) MCHR1RAB9ANPC1CD274CHRM1
Bromide SCHEMBL10971742 0.70 RAB9A (0.89) RAB9ANPC1HRH3ACHETP53
SCHEMBL3006769 0.70 MCHR1 (0.61) MCHR1RAB9ANPC1CD274BCHE

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 1/4885RAB9A 2707/4885NPC1 1939/4885

“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.