SCHEMBL16769736

SCHEMBL16769736

CC(=O)C1CCN(c2cc(C)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
KDM4E B2RXH2 5/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
PROKR1 Q8TCW9 2/20 0.44
OPRD1 P41143 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LCAT P04180 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 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
SCHEMBL22533443 0.85 KDM4E (0.64) CHRM4KDM4EGPBAR1OPRD1MEN1
SCHEMBL15286619 0.82 ALDH1A1 (0.52) CHRM4KDM4EKMT2A
SCHEMBL2130656 0.81 GRIN2D (0.50) CHRM4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL27341221 0.80 CHRM4 (0.48) CHRM4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL15337848 0.80 GRIN2D (0.51) CHRM4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL15295837 0.79 CHRM4 (0.45) CHRM4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL16566600 0.79 CHRM4 (0.45) CHRM4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL13622619 0.79 FFAR4 (0.54) CHRM4KDM4EGPBAR1MEN1HTT
SCHEMBL15450884 0.79 KDM4E (0.51) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18949715 0.79 GRIN2D (0.60) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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 CHRM4 4550/4885KDM4E 3879/4885GRIN2D 2789/4885

“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.