SCHEMBL4186064

SCHEMBL4186064

O=C(O)CCC(=O)C1CCC(COCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.44
PTGDR Q13258 3/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
AGTR2 P50052 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 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
SCHEMBL4342663 1.00 PTGIR (0.44) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL12093795 0.89 ALDH1A1 (0.41) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL4228269 0.86 AGTR2 (0.43) AGTR2ALDH1A1GAAMMP2MMP12
SCHEMBL4190352 0.85 SMN1; SMN2 (0.43) PTGIRPTGDRALDH1A1
SCHEMBL24873020 0.84 CTSL (0.43) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL29197734 0.84 CTSL (0.43) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL29751452 0.84 CTSL (0.43) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL24607953 0.84 CTSL (0.43) PTGIRPTGDRCTSLCTSBCTSK
SCHEMBL22849511 0.84 ALDH1A1 (0.55) CTSLCTSBCTSKAGTR2ALDH1A1
SCHEMBL3398972 0.84 ALDH1A1 (0.55) CTSLCTSBCTSKAGTR2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO 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 (2 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-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 PTGIR 1846/4885PTGDR 4252/4885CTSL 347/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 PTGIR 1846/4885PTGDR 4252/4885CTSL 347/4885

“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.