SCHEMBL803467

SCHEMBL803467

CC(C)(C)CC1CCCN(Cc2cnccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KAT2B Q92831 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
VNN1 O95497 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL803402 0.92 TNKS (0.36) TNKSPARP1TNKS2LMNAKDM4E
SCHEMBL803082 0.83 SCN9A (0.40) TNKSPARP1TNKS2L3MBTL1KDM4E
SCHEMBL803676 0.82 LMNA (0.50) ALDH1A1L3MBTL1LMNAKDM4EKAT2B
SCHEMBL803080 0.81 PDE2A (0.37) ALDH1A1LMNANPC1RAB9AKAT2B
SCHEMBL803673 0.78 CHRNB2 (0.58) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL803401 0.77 MAPT (0.49) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL803671 0.77 KAT2B (0.46) ALDH1A1KAT2BMEN1KMT2A
SCHEMBL12384434 0.73 SCN9A (0.43) TNKSPARP1TNKS2L3MBTL1
SCHEMBL30222750 0.73 CHRNB2 (0.49) TNKSPARP1TNKS2
SCHEMBL803679 0.73 KDM4E (0.53) ALDH1A1L3MBTL1LMNAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TNKS 2274/4885PARP1 1532/4885TNKS2 3225/4885

“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.