SCHEMBL16769744

SCHEMBL16769744

CC(=O)C1CCN(c2ccc(OC(F)F)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCAT P04180 3/20 0.47
ACACB O00763 8/20 0.45
GRM4 Q14833 1/20 0.44
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL16769746 0.89 ACACB (0.56) LCATACACBHRH3CHRNB2CHRNB4
SCHEMBL16648479 0.85 MAPT (0.53) LCATPARP1PARP2
SCHEMBL16769739 0.84 CHRNB2 (0.54) LCATACACBCHRNB2CHRNB4CHRNA3
SCHEMBL16769745 0.80 ACACB (0.53) LCATACACBCHRM4
SCHEMBL16769749 0.80 ACACB (0.57) LCATACACBHRH3
SCHEMBL16769750 0.78 LCAT (0.49) LCATACACBPIK3CD
SCHEMBL16769742 0.75 LCAT (0.47) LCATACACBHRH3
SCHEMBL25187518 0.75 GPR119 (0.59) PIK3CD
SCHEMBL30893585 0.75 GPR119 (0.59) PIK3CD
SCHEMBL25189491 0.74 CHRNB2 (0.59) LCATPARP1PARP2CHRNB2CHRNA4

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 LCAT 1/4885ACACB 209/4885GRM4 3850/4885

“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.