SCHEMBL20756325

SCHEMBL20756325

Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 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
SCHEMBL14238841 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL15834979 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL2053715 0.86 RAB9A (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL14239082 0.86 LMNA (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL14239083 0.86 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL14239045 0.84 GRM5 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL14239071 0.84 LMNA (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL14239385 0.84 LMNA (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL14239384 0.84 MAPK1 (0.41) ALDH1A1RAB9ANPC1LMNACYP2C19
SCHEMBL14239081 0.84 CYP1A1 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 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 (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-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 SMN1; SMN2 636/4885ALDH1A1 1721/4885RAB9A 1387/4885

“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.