SCHEMBL284009

SCHEMBL284009

CCC(=O)c1ccc2nc(C(C)(C)C)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL283862 0.86 SMN1; SMN2 (0.37) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL263653 0.83 TDP1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL269348 0.81 MEN1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL264966 0.79 HTT (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL27838280 0.78 SMN1; SMN2 (0.45) GRM1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21573033 0.76 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL284008 0.74 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL1474603 0.72 MAPT (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2756577 0.72 KCNH2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4402960 0.72 ALOX15 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 GRM1 150/4885SMN1; SMN2 1166/4885NPC1 443/4885

“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.