SCHEMBL184041

SCHEMBL184041

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.59
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
PYGL P06737 1/20 0.52
SIGMAR1 Q99720 3/20 0.47
LIPG Q9Y5X9 1/20 0.47
TSHR P16473 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CNR1 P21554 1/20 0.44
PNMT P11086 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5148312 0.89 TRPV1 (0.48) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL14991977 0.88 CNR2 (0.47) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1094537 0.82 CNR1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL11207410 0.80 PLAAT3 (0.62) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6379101 0.80 ALDH1A1 (0.61) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL10593239 0.79 MAPT (0.64) TRPV1TSHRCYP1A2MEN1LMNA
SCHEMBL16316827 0.79 KDM4E (0.63) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6917158 0.78 PLAAT3 (0.68) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9128943 0.77 MTNR1A (0.53) CYP1A2MAPT
SCHEMBL6433557 0.77 KDM4E (0.61) PLAAT3PLAAT5PLAAT2PLAAT4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
EP-2220080-B1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
EP-2220080-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-08-25 EP disclosed
WO-2009064752-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
WO-2009064752-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
EP-1377560-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-09-21 EP disclosed
EP-1150946-B1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA GMBH (DE) 2005-03-30 EP disclosed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US 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 (3 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 TRPV1 851/4885PLAAT3 1516/4885PLAAT5 994/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 TRPV1 28/4885PLAAT3 2923/4885PLAAT5 2303/4885
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 TRPV1 1/4885PLAAT3 984/4885PLAAT5 982/4885

“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.