SCHEMBL3079767

SCHEMBL3079767

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
PYGL P06737 1/20 0.43
REN P00797 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HSD17B2 P37059 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL1750533 0.88 ERCC1 (0.46) TRPV1RENCYP3A4HSD17B2KMT2A
SCHEMBL3085141 0.82 REN (0.42) TRPV1PYGLRENCYP3A4CA1
SCHEMBL3092898 0.81 EPHX2 (0.43) RENCYP3A4KMT2AGAA
SCHEMBL3080190 0.81 TRPV1 (0.43) TRPV1PYGLCA1CA2HSD17B2
SCHEMBL3092901 0.81 HSD11B1 (0.39) TRPV1PYGLRENCYP3A4CA1
SCHEMBL3074349 0.81 REN (0.40) TRPV1PYGLRENCYP3A4CA1
SCHEMBL1751067 0.79 KDM4E (0.56) ALDH1A1HPGDSMN1; SMN2PLAAT3PLAAT5
SCHEMBL91285 0.78 TSHR (0.46) TRPV1RENCYP3A4ALDH1A1HPGD
SCHEMBL15471849 0.74 TSHR (0.59) CYP3A4ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL3074352 0.73 TRPV1 (0.40) TRPV1PYGLRENCYP3A4CA1

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 310/4885PYGL 3456/4885REN 1/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TRPV1 349/4885PYGL 3016/4885REN 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.