SCHEMBL1178411

SCHEMBL1178411

Cc1ccn(Cc2ccc(C(C(=O)Nc3cccc(CC4(C(=O)OC(C)(C)C)CC4)c3)C3CCCC3)cc2)c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
HTR1E P28566 3/20 0.38
S1PR3 Q99500 3/20 0.38
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ACKR3 P25106 10/20 0.35
HTT P42858 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL1177749 0.91 PTGES (0.38) PTGESACKR3CYP1A2CYP3A4CYP2D6
SCHEMBL1178161 0.90 PTGES (0.44) PTGESHTR1ES1PR3SSTR1SSTR4
SCHEMBL7602660 0.90 PTGES (0.40) PTGESHTR1ES1PR3SSTR1SSTR4
SCHEMBL1177281 0.89 PTGES (0.41) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL7601883 0.88 PTGES (0.42) PTGESHTR1ES1PR3SSTR1SSTR4
SCHEMBL1178777 0.87 PTGES (0.42) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL10006355 0.87 HTR1E (0.50) PTGESHTR1ES1PR3SSTR1SSTR4
SCHEMBL1178323 0.86 PTGER3 (0.39) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1178677 0.85 CYP1A2 (0.48) PTGESLMNAKMT2AMAPTACKR3
SCHEMBL1178167 0.85 CYP1A2 (0.48) PTGESLMNAKMT2AMAPTACKR3

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 4 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
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP 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 PTGES 224/4885HTR1E 4408/4885S1PR3 3654/4885

“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.