SCHEMBL3092898

SCHEMBL3092898

O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
KMT2A Q03164 3/20 0.43
REN P00797 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.40
SLC13A5 Q86YT5 2/20 0.39
GAA P10253 1/20 0.39
JAK1 P23458 1/20 0.39
DPP4 P27487 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
SCHEMBL2636014 0.90 EPHX2 (0.47) EPHX2KMT2ARENCYP3A4PKM
SCHEMBL3085141 0.86 REN (0.42) KMT2ARENCYP3A4TSHRMAPK1
SCHEMBL2635460 0.83 KDM4E (0.47) EPHX2KMT2ATSHRMAPK1GAA
SCHEMBL3088347 0.82 EPHX2 (0.47) EPHX2PKMGAA
SCHEMBL3079767 0.81 TRPV1 (0.44) KMT2ARENCYP3A4GAA
SCHEMBL2635858 0.81 EPHX2 (0.43) EPHX2TSHRMAPK1PKMSLC13A5
SCHEMBL3086062 0.80 EPHX2 (0.45) EPHX2KMT2APKMGAA
SCHEMBL2635463 0.80 ERCC1 (0.55) EPHX2KMT2ASLC13A5
SCHEMBL2635810 0.79 EPHX2 (0.41) EPHX2RENTSHRMAPK1PKM
Hydrochloric Acid SCHEMBL4685328 0.78 EPHX2 (0.40) EPHX2RENTSHRMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US claimed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US claimed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP claimed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO claimed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 EPHX2 1088/4885KMT2A 2187/4885REN 1/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 EPHX2 846/4885KMT2A 2088/4885REN 1/4885

“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.