SCHEMBL16635022

SCHEMBL16635022

CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 7/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 4/20 0.55
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
ADORA1 P30542 1/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MLYCD O95822 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
DRD4 P21917 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL16635591 0.86 NPC1 (0.55) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL16635963 0.86 NPC1 (0.55) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL16635660 0.85 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL14019455 0.85 NPC1 (0.77) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL20795066 0.83 NPC1 (0.78) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4554346 0.82 NPC1 (0.77) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL718420 0.82 NPC1 (0.60) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4853920 0.81 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL16635540 0.81 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL16635806 0.79 NPSR1 (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (8 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885LMNA 3964/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885LMNA 3964/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885LMNA 3964/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NPC1 397/4885RAB9A 2250/4885LMNA 2269/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NPC1 397/4885RAB9A 2250/4885LMNA 2269/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885LMNA 3964/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A NPC1 429/4885RAB9A 2495/4885LMNA 1706/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 NPC1 1385/4885RAB9A 2664/4885LMNA 3964/4885

“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.