SCHEMBL2685715

SCHEMBL2685715

CN(c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1F)c1ncc(CO)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 4/20 0.45
▸ KCNQ2 O43526 4/20 0.45
▸ KCNE1 P15382 4/20 0.45
▸ KCNQ1 P51787 4/20 0.45
▸ TRPV1 Q8NER1 4/20 0.44
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 1/20 0.42
▸ KIT P10721 1/20 0.42

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
SCHEMBL2687034 0.93 MEN1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2686892 0.89 ABL1 (0.50) TRPV1MEN1KMT2A
SCHEMBL2687840 0.84 SMN1; SMN2 (0.46) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL2686437 0.84 MEN1 (0.46) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2686195 0.81 ABL1 (0.53) TRPV1MEN1KMT2A
SCHEMBL2686618 0.76 TRPV1 (0.58) TRPV1NPC1RAB9AGAAMAPT
SCHEMBL2684532 0.74 TRPV1 (0.46) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2684965 0.72 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL4062369 0.72 NPC1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2685870 0.71 NPC1 (0.48) KCNQ3KCNQ2KCNE1KCNQ1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US claimed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US claimed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 — — EP claimed
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2006-02-16 — — US claimed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 — — EP disclosed
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2006-02-16 — — 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-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 KCNQ3 135/4885KCNQ2 162/4885KCNE1 75/4885
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 KCNQ3 126/4885KCNQ2 153/4885KCNE1 65/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 KCNQ3 149/4885KCNQ2 185/4885KCNE1 91/4885

“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.

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