SCHEMBL16769746

SCHEMBL16769746

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.56
LCAT P04180 2/20 0.47
PTGDR Q13258 2/20 0.44
HRH3 Q9Y5N1 4/20 0.42
ACACA Q13085 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40

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
SCHEMBL16769744 0.89 LCAT (0.47) ACACBLCATHRH3CHRNB2CHRNB4
SCHEMBL16769739 0.85 CHRNB2 (0.54) ACACBLCATCHRNB2CHRNB4CHRNA3
SCHEMBL16648701 0.84 MAPT (0.54) ACACB
SCHEMBL16769749 0.81 ACACB (0.57) ACACBLCATHRH3
SCHEMBL16769734 0.78 HRH3 (0.48) ACACBLCATHRH3
SCHEMBL3104376 0.75 CHRNB2 (0.63) ACACBLCATCHRNB2CHRNA4
SCHEMBL1441410 0.75 CHRNB2 (0.54) LCATCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16769754 0.75 LCAT (0.45) LCATHRH3
SCHEMBL16769743 0.74 HRH3 (0.48) ACACBLCATHRH3
SCHEMBL3104760 0.74 GPR119 (0.60) ACACBPTGDR

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 ACACB 209/4885LCAT 1/4885PTGDR 2369/4885

“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.