SCHEMBL12468898

SCHEMBL12468898

CN(C)CCNc1c[c]ncc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
DNM2 P50570 2/20 0.35
IDH2 P48735 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
NCF1 P14598 2/20 0.35
TOP2A P11388 1/20 0.35
KAT2B Q92831 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2067802 0.81 KDM6B (0.36) CYP2C19KDM4E
SCHEMBL6032869 0.77 CYP2C19 (0.50) CYP2C19HRH3GAAALPGDNM2
SCHEMBL2067361 0.77
SCHEMBL2067765 0.73 KDM6B (0.37)
SCHEMBL3707096 0.71 CYP2C19 (0.41) CYP2C19HRH3GAAALPGMALT1
SCHEMBL10818179 0.70 CA12 (0.41) CYP2C19GAAMEN1KMT2AKDM4E
SCHEMBL18066566 0.70 HRH3 (0.47) CYP2C19HRH3GAAALPGDNM2
SCHEMBL2033568 0.69 CYP2C19 (0.42) CYP2C19HRH3GAAALPGMALT1
SCHEMBL27680514 0.69
SCHEMBL11454686 0.69 HRH3 (0.46) CYP2C19HRH3DNM2IDH2KDM4E

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 CYP2C19 190/4885HRH3 780/4885GAA 138/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA CYP2C19 190/4885HRH3 780/4885GAA 138/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA CYP2C19 190/4885HRH3 780/4885GAA 138/4885

“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.