SCHEMBL16458809

SCHEMBL16458809

O=C(O)NCCN1CCC(CNC(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCHR1 Q99705 1/20 0.47
CHRM4 P08173 2/20 0.46
RPS6KB1 P23443 1/20 0.46
HTR4 Q13639 1/20 0.46
KMT2A Q03164 2/20 0.46
IKBKB O14920 1/20 0.45
HTR7 P34969 1/20 0.44
CACNA1H O95180 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL4277695 0.85 BCL3 (0.46) BCL3NPC1RAB9AMCHR1HTR4
SCHEMBL7982043 0.82 NPC1 (0.64) NPC1RAB9ACHRM4RPS6KB1
Acetic Acid SCHEMBL6454337 0.80 NPC1 (0.59) NPC1RAB9ACHRM4RPS6KB1HTR4
SCHEMBL27304799 0.73 RAB9A (0.51) BCL3NPC1RAB9ARPS6KB1KMT2A
SCHEMBL6397852 0.72 CCR3 (0.61) BCL3KCNH2
SCHEMBL16459248 0.72 SMYD3 (0.49) MCHR1HTR4CACNA1HCYP2D6KCNH2
SCHEMBL16163289 0.72 CHRM1 (0.53) NPC1RAB9ACHRM4RPS6KB1
SCHEMBL12121083 0.72 CNR2 (0.55) NPC1RAB9ACHRM4
SCHEMBL14763383 0.71 CHRM4 (0.62) MCHR1CHRM4
SCHEMBL16825763 0.71 RPS6KB1 (0.50) NPC1RAB9ARPS6KB1HTR4

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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B BCL3 1821/4885NPC1 1266/4885RAB9A 1117/4885

“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.