SCHEMBL12468899

SCHEMBL12468899

CN(C)CCCc1c[c]ncc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 2/20 0.40
CHRNA7 P36544 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
LMNA P02545 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
AOC3 Q16853 1/20 0.35
HRH4 Q9H3N8 2/20 0.35

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
SCHEMBL294392 0.81 TDP1 (0.39) LMNA
SCHEMBL1981573 0.79 TDP1 (0.46) KCNH2LMNA
SCHEMBL4933131 0.79 CHRNB2 (0.42) KCNH2CHRNA7HRH3LMNANOS3
SCHEMBL295105 0.78 TDP1 (0.44) KCNH2LMNA
SCHEMBL28842484 0.78 TDP1 (0.44) KCNH2LMNA
SCHEMBL12468754 0.77 LTA4H (0.36) HRH3HRH4
SCHEMBL7092468 0.76 SIGMAR1 (0.53) SIGMAR1KCNH2CHRNA7HRH3LMNA
SCHEMBL2251105 0.76
SCHEMBL511972 0.75 HRH1 (0.34) SIGMAR1
SCHEMBL9670561 0.73 SIGMAR1 (0.64) SIGMAR1KCNH2HRH3LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 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 (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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA SIGMAR1 2972/4885KCNH2 519/4885CHRNA7 3035/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA SIGMAR1 2972/4885KCNH2 519/4885CHRNA7 3035/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA SIGMAR1 2972/4885KCNH2 519/4885CHRNA7 3035/4885

“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.