SCHEMBL16769752

SCHEMBL16769752

CC(=O)C1CCN(c2cnc(C3CC3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.41
LCAT P04180 2/20 0.40
KDM4E B2RXH2 3/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC4 P56524 1/20 0.36
NOTUM Q6P988 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
DEGS1 O15121 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL16648562 0.80 MAPT (0.54) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL16769755 0.80 LCAT (0.43) LCATKDM4ECYP2C19ALDH1A1NOTUM
SCHEMBL16769753 0.80 LCAT (0.42) LCATKDM4ECYP2C19ALDH1A1NOTUM
SCHEMBL16769754 0.74 LCAT (0.45) LCATALDH1A1NOTUMDEGS1HRH3
SCHEMBL16769739 0.74 CHRNB2 (0.54) LCATMAPT
SCHEMBL16887557 0.72 CYP2C9 (0.53) HRH3
SCHEMBL12903659 0.71 NOTUM (0.64) ALDH1A1NOTUMNPSR1USP2MEN1
SCHEMBL22361860 0.71 CHRNB2 (0.41) SLC6A9LCAT
SCHEMBL13965560 0.71 KDM4E (0.54) KDM4ECYP2C19NOTUMNPSR1USP2
SCHEMBL20152894 0.71 KDM4E (0.50) SLC6A9KDM4ECYP2C19ALDH1A1RXFP1

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 SLC6A9 2048/4885LCAT 1/4885KDM4E 3879/4885

“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.