SCHEMBL803403

SCHEMBL803403

CC(C)(C)CC1CCN(Cc2ccncn2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKZF2 Q9UKS7 1/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CXCR4 P61073 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH1 P35367 1/20 0.33
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ACHE P22303 1/20 0.32
HSD11B1 P28845 1/20 0.32
CHRM4 P08173 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
SCHEMBL803080 0.92 PDE2A (0.37) LMNACXCR4CYP1A2CYP2D6
SCHEMBL803399 0.92 KDM4E (0.40) KDM4ESMN1; SMN2IKZF2CXCR4CYP2D6
SCHEMBL803679 0.82 KDM4E (0.53) KDM4ESMN1; SMN2LMNASIGMAR1CYP1A2
SCHEMBL803095 0.80 HSD11B1 (0.47) SIGMAR1HIF1AACHEHSD11B1
SCHEMBL803402 0.80 TNKS (0.36) KDM4ESMN1; SMN2IKZF2LMNASIGMAR1
SCHEMBL803093 0.76 CHRM4 (0.39) KDM4ESMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL803676 0.75 LMNA (0.50) KDM4ESMN1; SMN2LMNASIGMAR1CYP1A2
SCHEMBL803677 0.74 KAT2B (0.40) KDM4ECYP1A2CYP2D6HIF1AACHE
SCHEMBL17289037 0.74 HRH1 (0.44) KDM4EIKZF2LMNACXCR4CYP1A2
SCHEMBL17698971 0.74 IKZF2 (0.41) KDM4ESMN1; SMN2IKZF2CYP1A2L3MBTL1

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 KDM4E 2727/4885SMN1; SMN2 2971/4885IKZF2 4819/4885

“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.