SCHEMBL803093

SCHEMBL803093

CC(C)(C)CC1CCN(Cc2ncccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
ACKR3 P25106 1/20 0.33
FAAH O00519 2/20 0.32
PDE8B O95263 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
SCHEMBL803668 0.90 CHRM4 (0.40) CHRM4KDM4ESMN1; SMN2ACHEDRD2
SCHEMBL803679 0.82 KDM4E (0.53) CYP1A2CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL18713078 0.79 LMNA (0.36) CHRM4CYP2D6ALDH1A1LMNASMN1; SMN2
SCHEMBL803095 0.77 HSD11B1 (0.47) HIF1AACHE
SCHEMBL18390910 0.77 ACHE (0.43) CHRM4ALDH1A1LMNAKDM4EACHE
SCHEMBL803402 0.77 TNKS (0.36) CHRM4CYP2D6LMNAKDM4ESMN1; SMN2
SCHEMBL803083 0.76 CCR3 (0.58) CYP1A2CYP2D6ALDH1A1ACHE
SCHEMBL803403 0.76 KDM4E (0.36) CHRM4CYP1A2CYP2D6HIF1ALMNA
SCHEMBL803678 0.76 CHRNB2 (0.54) ALDH1A1KDM4E
SCHEMBL803676 0.75 LMNA (0.50) CYP1A2ALDH1A1LMNAKDM4ESMN1; SMN2

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 CHRM4 469/4885CYP1A2 1988/4885CYP2D6 900/4885

“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.