SCHEMBL12872152

SCHEMBL12872152

O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 11/20 0.40
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3698320 1.00 C3AR1 (0.40) C3AR1CYP2C19SMN1; SMN2TP53CYP1A2
SCHEMBL12872151 1.00 C3AR1 (0.40) C3AR1CYP2C19SMN1; SMN2TP53CYP1A2
SCHEMBL3693973 1.00 C3AR1 (0.40) C3AR1CYP2C19SMN1; SMN2TP53CYP1A2
SCHEMBL1194161 0.96 C3AR1 (0.42) C3AR1CYP2C19SMN1; SMN2
SCHEMBL1194163 0.96 C3AR1 (0.42) C3AR1CYP2C19SMN1; SMN2
SCHEMBL12872154 0.96 C3AR1 (0.42) C3AR1CYP2C19SMN1; SMN2
SCHEMBL3701716 0.92 C3AR1 (0.38) C3AR1CYP2C19SMN1; SMN2
SCHEMBL3695567 0.92 C3AR1 (0.38) C3AR1CYP2C19SMN1; SMN2
SCHEMBL3700599 0.92 C3AR1 (0.38) C3AR1CYP2C19SMN1; SMN2
SCHEMBL3693596 0.92 C3AR1 (0.38) C3AR1CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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 (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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 C3AR1 1349/4885CYP2C19 228/4885SMN1; SMN2 3690/4885

“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.