SCHEMBL4031762

SCHEMBL4031762

Cc1nn(-c2ccccn2)cc1COc1ccc(COc2ncccc2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 2/20 0.36
MAOB P27338 3/20 0.35
GRM5 P41594 1/20 0.34
AKR1B1 P15121 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALKBH1 Q13686 2/20 0.33
CYP19A1 P11511 1/20 0.33
IMPDH2 P12268 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL4034226 0.88 MAPT (0.37) MAPTHTTNPC1RAB9AMAOB
SCHEMBL4031699 0.83 MAPT (0.38) MAPTHTTNPC1RAB9ALMNA
SCHEMBL4035243 0.81 PTGDR2 (0.45) MAPTHTTNPC1RAB9AFFAR1
SCHEMBL4028467 0.79 MAPT (0.40) MAPTHTTNPC1RAB9ALMNA
SCHEMBL6035222 0.76 PTGDR2 (0.46) MAPTHTTNPC1RAB9AFFAR1
SCHEMBL4035599 0.74 PTGDR2 (0.46) MAPTHTTNPC1RAB9AFFAR1
SCHEMBL6034575 0.74 FFAR1 (0.53) FFAR1AKR1B1FFAR4
SCHEMBL4033996 0.74 SMN1; SMN2 (0.52) MAPTHTTNPC1RAB9AGRM5
SCHEMBL4034458 0.71 MAOB (0.51) NPC1RAB9AMAOBIMPDH2
SCHEMBL4034640 0.69 HRH3 (0.43) MAPTHTTRAB9AFFAR1MAOB

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK MAPT 4719/4885HTT 3712/4885NPC1 614/4885

“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.