Acetonitrile

Acetonitrile

SCHEMBL16245220

CC#N.O=c1c2ccc(C#Cc3cccc(F)c3)cc2nc2n1CCN(C1CCOC1)CC2

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9994516 0.96 GRM5 (0.53) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL6921889 0.85 GRM5 (0.49) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL6922860 0.83 GRM5 (0.41) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL16245221 0.82 GRM5 (0.47) GRM5L3MBTL1
SCHEMBL6923716 0.78 LMNA (0.45) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL6923279 0.77 GRM5 (0.41) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL9994909 0.76 L3MBTL1 (0.41) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL6921520 0.76 L3MBTL1 (0.54) TDP1L3MBTL1NPC1RAB9AKDM4E
SCHEMBL9994522 0.75 GRM5 (0.40) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL9995135 0.75 ALDH1A1 (0.42) GRM5TDP1L3MBTL1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US 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 (2 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-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 GRM5 1/4885TDP1 3528/4885L3MBTL1 4064/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885TDP1 1917/4885L3MBTL1 3622/4885

“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.