SCHEMBL16769738

SCHEMBL16769738

CC(=O)C1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
FFAR2 O15552 1/20 0.49
CHRM4 P08173 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
NOTUM Q6P988 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
PANK3 Q9H999 1/20 0.45
PARP1 P09874 1/20 0.45
DPP4 P27487 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
TNF P01375 2/20 0.43
NOD1 Q9Y239 2/20 0.43
CCR5 P51681 1/20 0.43
NOD2 Q9HC29 1/20 0.43
USP2 O75604 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
SCHEMBL321690 0.86 NOTUM (0.58) KDM4ETP53FFAR2CHRM4CTSS
SCHEMBL12582094 0.85 PANK3 (0.49) KDM4ETP53FFAR2CHRM4CTSS
SCHEMBL18286575 0.84 KDM4E (0.54) KDM4ETP53FFAR2CHRM4CTSS
SCHEMBL16648433 0.84 MAPT (0.61) KDM4ETP53FFAR2CHRM4CTSS
SCHEMBL28001502 0.81 KDM4E (0.50) KDM4ETP53FFAR2CTSSCTSK
SCHEMBL1164809 0.81 CHRM4 (0.53) KDM4ETP53FFAR2CHRM4CTSS
SCHEMBL2654128 0.80 MAPT (0.64) KDM4ECHRNA10CHRNA9POLB
SCHEMBL21097704 0.80 GPR119 (0.51) KDM4ENOTUMGPR119USP2
SCHEMBL2479134 0.80 NOTUM (0.45) KDM4ENOTUMGPR119USP2
SCHEMBL16695320 0.80 NOTUM (0.71) FFAR2NOTUM

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-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 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-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 KDM4E 3879/4885TP53 4042/4885FFAR2 524/4885

“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.