SCHEMBL803082

SCHEMBL803082

CC(C)(C)CC1CCN(Cc2cnccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
ACKR3 P25106 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
IKZF2 Q9UKS7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CHRM4 P08173 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.34
MGLL Q99685 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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) SCN9AACKR3WNT1GSK3BDYRK1A
SCHEMBL12424465 0.85 SCN9A (0.41) SCN9AACKR3WNT1GSK3BDYRK1A
SCHEMBL12384434 0.84 SCN9A (0.43) SCN9AACKR3WNT1GSK3BDYRK1A
SCHEMBL803467 0.83 TNKS (0.38) KDM4ETNKSPARP1TNKS2L3MBTL1
SCHEMBL15014498 0.81 ALDH1A1 (0.49) SCN9AACKR3WNT1GSK3BDYRK1A
SCHEMBL803088 0.79 KDM4E (0.59) KDM4ESMN1; SMN2L3MBTL1HRH1CYP2D6
SCHEMBL17289014 0.79 TNKS (0.46) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL22432752 0.78 SCN9A (0.42) SCN9AACKR3WNT1GSK3BDYRK1A
SCHEMBL803470 0.78 MAP4K4 (0.35)
SCHEMBL803399 0.78 KDM4E (0.40) KDM4ESMN1; SMN2IKZF2L3MBTL1HRH1

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 SCN9A 722/4885ACKR3 231/4885WNT1 4220/4885

“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.