SCHEMBL615003

SCHEMBL615003

FC(F)(F)Oc1ccccc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.51
TRPA1 O75762 1/20 0.49
PDE2A O00408 1/20 0.47
DHODH Q02127 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE10A Q9Y233 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HSD11B1 P28845 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
KCNN4 O15554 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
SCHEMBL306822 0.84 FFAR4 (0.55) SCN9ATRPA1FFAR4HSD11B1CYP2C9
SCHEMBL29788132 0.84 FFAR4 (0.55) SCN9ATRPA1FFAR4HSD11B1CYP2C9
SCHEMBL16445741 0.81 CYP11B1 (0.51) SCN9ATRPA1MAPTCYP11B1CYP11B2
SCHEMBL7701143 0.80 ALDH1A1 (0.50) SCN9ATRPA1FFAR4HSD11B1ALOX5AP
SCHEMBL1045874 0.79 FFAR4 (0.51) SCN9ATRPA1FFAR4HSD11B1ALOX5AP
SCHEMBL11534865 0.78 NOTUM (0.48) MAPTCYP11B1CYP11B2NPSR1
SCHEMBL2095253 0.78 FFAR4 (0.50) SCN9ATRPA1FFAR4HSD11B1ALOX5AP
SCHEMBL14744155 0.78 NCOA1 (0.51) SCN9ATRPA1FFAR4CYP2C9CYP3A4
SCHEMBL699801 0.78 FFAR4 (0.47) SCN9ATRPA1PDE2ADHODHPDE4B
SCHEMBL12017812 0.77 ABL1 (0.45) SCN9AKDM4EMAPTNPSR1

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-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR SCN9A 532/4885TRPA1 388/4885PDE2A 2307/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR SCN9A 532/4885TRPA1 388/4885PDE2A 2307/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR SCN9A 532/4885TRPA1 388/4885PDE2A 2307/4885

“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.