SCHEMBL803402

SCHEMBL803402

CC(C)(C)CC1CCN(Cc2cnccn2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
SCN9A Q15858 1/20 0.36
ACKR3 P25106 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IKZF2 Q9UKS7 1/20 0.34
CHRM4 P08173 2/20 0.33
LMNA P02545 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL803467 0.92 TNKS (0.38) TNKSPARP1TNKS2KDM4ELMNA
SCHEMBL803082 0.92 SCN9A (0.40) TNKSPARP1TNKS2SCN9AACKR3
SCHEMBL803679 0.81 KDM4E (0.53) CYP2D6HRH1KDM4ESMN1; SMN2LMNA
SCHEMBL12424465 0.80 SCN9A (0.41) TNKSPARP1TNKS2SCN9AACKR3
SCHEMBL803403 0.80 KDM4E (0.36) CYP2D6HRH1KDM4ESMN1; SMN2IKZF2
SCHEMBL12384434 0.78 SCN9A (0.43) TNKSPARP1TNKS2SCN9AACKR3
SCHEMBL803678 0.77 CHRNB2 (0.54) KDM4ESIGMAR1
SCHEMBL803093 0.77 CHRM4 (0.39) ACKR3CYP2D6KDM4ESMN1; SMN2CHRM4
SCHEMBL15014498 0.76 ALDH1A1 (0.49) TNKSPARP1TNKS2SCN9AACKR3
SCHEMBL803677 0.75 KAT2B (0.40) CYP2D6JAK1KDM4ECHRM4

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.