SCHEMBL803677

SCHEMBL803677

CC(C)(C)CC1CCN(Cc2cncnc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.40
CHRM4 P08173 2/20 0.39
HRH3 Q9Y5N1 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
JAK1 P23458 1/20 0.35
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 2/20 0.32
HSD11B1 P28845 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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
SCHEMBL803671 0.91 KAT2B (0.46) KAT2BCYP1A2CYP2D6ALDH1A1ACHE
SCHEMBL803678 0.83 CHRNB2 (0.54) KDM4EALDH1A1
SCHEMBL803095 0.82 HSD11B1 (0.47) HIF1ACCR3ACHEHSD11B1
SCHEMBL803083 0.78 CCR3 (0.58) CYP1A2CYP2D6CCR3ALDH1A1ACHE
SCHEMBL12424323 0.78 JAK1 (0.43) KAT2BCHRM4HRH3JAK1CCR3
SCHEMBL12384405 0.76 MGAT2 (0.42) KAT2BCHRM4HRH3JAK1KDM4E
SCHEMBL12424469 0.76 KAT2B (0.42) KAT2BCHRM4HRH3JAK1KDM4E
SCHEMBL12424398 0.76 KAT2B (0.47) KAT2BCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL803402 0.75 TNKS (0.36) CHRM4CYP2D6JAK1KDM4E
SCHEMBL803673 0.75 CHRNB2 (0.58) HRH3JAK1KDM4EALDH1A1

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 KAT2B 898/4885CHRM4 469/4885HRH3 9/4885

“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.