SCHEMBL16769729

SCHEMBL16769729

CC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.76
LMNA P02545 2/20 0.76
ABL1 P00519 1/20 0.76
MEN1 O00255 2/20 0.69
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
L3MBTL1 Q9Y468 5/20 0.60
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GPR119 Q8TDV5 1/20 0.56
SERPINE1 P05121 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL31381261 0.88 LMNA (0.78) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL327492 0.88 LMNA (0.78) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL30540328 0.86 LMNA (1.00) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL25111352 0.86 LMNA (0.71) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL16648616 0.86 KDM4E (0.71) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL1573375 0.83 HPGD (0.69) KDM4ELMNAABL1KMT2ASMN1; SMN2
SCHEMBL16769733 0.82 HRH3 (0.55) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL1244712 0.81 KDM4E (0.68) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL30567092 0.81 KDM4E (0.68) KDM4ELMNAABL1MEN1ALDH1A1
SCHEMBL764799 0.81 KDM4E (0.64) KDM4ELMNAABL1MEN1ALDH1A1

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 3879/4885LMNA 2513/4885ABL1 549/4885

“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.