SCHEMBL803095

SCHEMBL803095

CC(C)(C)CC1CCN(Cc2ccncc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
ACHE P22303 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL803401 0.91 MAPT (0.49) HSD11B1MEN1KMT2APKMPOLB
SCHEMBL803087 0.91 ACHE (0.49) ACHEMEN1KMT2AHIF1AEPAS1
SCHEMBL12767101 0.84 PKM (0.46) HSD11B1ACHEMEN1KMT2APKM
SCHEMBL803083 0.84 CCR3 (0.58) ACHECCR3
SCHEMBL803678 0.83 CHRNB2 (0.54) KMT2AMAPTSIGMAR1
SCHEMBL803677 0.82 KAT2B (0.40) HSD11B1ACHEHIF1ACCR3
SCHEMBL30031162 0.81 CYP2D6 (0.54) MEN1KMT2APKMPOLBMAPT
SCHEMBL803403 0.80 KDM4E (0.36) HSD11B1ACHEHIF1ASIGMAR1
SCHEMBL12677400 0.80 HSD11B1 (0.45) HSD11B1ACHEMEN1KMT2APKM
SCHEMBL19160313 0.78 KDM4E (0.49) ACHEMEN1KMT2ASIGMAR1CCR3

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 HSD11B1 4053/4885ACHE 746/4885MEN1 2563/4885

“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.