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
SCHEMBL2067361 0.77 — —
SCHEMBL6032869 0.77 CYP2C19 (0.50) CYP2C19HRH3GAAALPGDNM2
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.

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