SCHEMBL3074346

SCHEMBL3074346

C[SiH](C)OC(c1cc(CCNC(=O)CC(F)(F)F)ccc1Cl)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
REN P00797 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
DPP4 P27487 1/20 0.35
PYGL P06737 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAF1 P04049 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL27756370 0.86 KDM4E (0.44) TRPV1ALDH1A1RAF1
SCHEMBL3089004 0.86 TSHR (0.41) TRPV1CA1CA2ALDH1A1RAF1
SCHEMBL3075600 0.80 HTR1A (0.41) ALDH1A1
SCHEMBL3085740 0.78 HTR1A (0.43)
SCHEMBL1752271 0.78 TSHR (0.41) TRPV1CYP3A4
SCHEMBL1751531 0.77 TSHR (0.43) ALDH1A1
SCHEMBL1751165 0.75 SIGMAR1 (0.35) RENGRIN2BALDH1A1GAA
SCHEMBL1751077 0.75 TAAR1 (0.45) CYP3A4ALDH1A1GAA
SCHEMBL27735748 0.72 CSNK2A1 (0.40)
SCHEMBL3079767 0.72 TRPV1 (0.44) TRPV1RENCYP3A4CA1CA2

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-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 TRPV1 310/4885REN 1/4885CYP3A4 709/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TRPV1 349/4885REN 1/4885CYP3A4 676/4885

“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.