SCHEMBL13403151

SCHEMBL13403151

CNC1(C(=O)NCC(O)c2ccccc2)CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ASAH1 Q13510 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SCD O00767 4/20 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
SCHEMBL13403152 0.77 ALDH1A1 (0.42) SMN1; SMN2KMT2AKDM4E
SCHEMBL14385914 0.70 KMT2A (0.51) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL885089 0.68 BCAT2 (0.68) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL50338 0.68 BCAT2 (0.68) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL885090 0.68 BCAT2 (0.68) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13234198 0.68 KDM4E (0.34) SMN1; SMN2KMT2AKDM4E
SCHEMBL1520684 0.68 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL26906281 0.68 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13403149 0.67 KDM4E (0.36) KMT2AKDM4E
Acetic Acid SCHEMBL8330086 0.67 BCAT2 (0.66) BCAT2NPC1RAB9ASMN1; SMN2KMT2A

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A BCAT2 3177/4885NPC1 2467/4885RAB9A 979/4885

“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.