SCHEMBL2686149

SCHEMBL2686149

CN(c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ KCNK3 O14649 1/20 0.47

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
Hydrochloric Acid SCHEMBL2685323 0.99 TRPV1 (0.57) TRPV1KCNK9TP53HDAC8HDAC6
SCHEMBL2687184 0.82 TRPV1 (0.58) TRPV1TP53HDAC8HDAC6RAB9A
SCHEMBL2686986 0.82 TRPV1 (0.55) TRPV1RAB9ANAMPT
Hydrochloric Acid SCHEMBL2684989 0.81 TRPV1 (0.57) TRPV1TP53HDAC8HDAC6RAB9A
SCHEMBL2686201 0.79 KCNK9 (0.52) TRPV1KCNK9TP53HDAC8HDAC6
SCHEMBL28423696 0.75 KCNK3 (0.48) KCNK9HTTRAB9AKCNK3
SCHEMBL2686944 0.74 TP53 (0.57) TRPV1KCNK9TP53HDAC8HDAC6
SCHEMBL3873012 0.74 TRPV1 (1.00) TRPV1
SCHEMBL25274902 0.74 TRPV1 (0.58) TRPV1KCNK9TP53HDAC8HDAC6
SCHEMBL7302565 0.74 KCNK9 (0.76) TRPV1KCNK9TP53HDAC8HDAC6

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-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

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-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 TRPV1 1/4885KCNK9 350/4885TP53 4029/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 TRPV1 1/4885KCNK9 490/4885TP53 3854/4885

“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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