SCHEMBL3085141

SCHEMBL3085141

O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
CYP3A4 P08684 2/20 0.42
DPP4 P27487 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
PYGL P06737 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HSD17B2 P37059 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL1750880 0.90 REN (0.42) RENCYP3A4TRPV1KDM4ETDP1
SCHEMBL3092898 0.86 EPHX2 (0.43) RENCYP3A4DPP4KMT2APKM
SCHEMBL1751304 0.82 KDM4E (0.48) RENCYP3A4KMT2AKDM4ETSHR
SCHEMBL3079767 0.82 TRPV1 (0.44) RENCYP3A4TRPV1KMT2AMEN1
SCHEMBL1751663 0.81 TSHR (0.47) RENKMT2AMEN1PKMKDM4E
SCHEMBL2635861 0.79 SIGMAR1 (0.44) RENKMT2AMEN1KDM4ETDP1
SCHEMBL3092901 0.76 HSD11B1 (0.39) RENCYP3A4DPP4TRPV1KMT2A
SCHEMBL3088350 0.76 TAAR1 (0.44) KMT2AMEN1KDM4ETSHRMAPK1
SCHEMBL1751125 0.75 KMT2A (0.41) RENCYP3A4KMT2AMEN1KDM4E
SCHEMBL2636014 0.75 EPHX2 (0.47) RENCYP3A4KMT2APKM

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 REN 1/4885CYP3A4 709/4885DPP4 30/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 REN 1/4885CYP3A4 676/4885DPP4 35/4885

“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.