SCHEMBL16769739

SCHEMBL16769739

COc1ccc(N2CCC(C(C)=O)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
PIK3CG P48736 1/20 0.47
MLLT1 Q03111 1/20 0.45
LCAT P04180 1/20 0.45
SLC18A3 Q16572 1/20 0.43
OGA O60502 1/20 0.43
OXTR P30559 3/20 0.42
AVPR1A P37288 3/20 0.42
F10 P00742 1/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 1/20 0.42
ACACB O00763 2/20 0.41
MAPT P10636 1/20 0.41
NNMT P40261 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL1441410 0.89 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CG
SCHEMBL26094391 0.88 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CG
SCHEMBL16769746 0.85 ACACB (0.56) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL16769749 0.84 ACACB (0.57) LCATACACB
SCHEMBL16769744 0.84 LCAT (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL4389854 0.83 MAPT (0.57) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL4391755 0.80 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CG
SCHEMBL21397330 0.80 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL21384592 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CG
SCHEMBL30574420 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CG

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 CHRNB2 3937/4885CHRNA4 3753/4885CHRNB4 4086/4885

“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.