SCHEMBL803678

SCHEMBL803678

CC(C)(C)CC1CCN(Cc2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
KDM4E B2RXH2 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
TRPV6 Q9H1D0 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL803673 0.92 CHRNB2 (0.58) CHRNB2CHRNA4KDM4ECHRM2CHRM1
SCHEMBL803669 0.92 CHRNB2 (0.60) CHRNB2CHRNA4KDM4EALDH1A1CACNA1I
SCHEMBL9211536 0.86 CHRNB2 (0.56) CHRNB2CHRNA4KDM4ECHRM2CHRM1
SCHEMBL23291216 0.83 CHRNB2 (0.56) CHRNB2CHRNA4KDM4ECHRM2CHRM1
SCHEMBL23291215 0.83 CHRNB2 (0.56) CHRNB2CHRNA4KDM4ECHRM2CHRM1
SCHEMBL803095 0.83 HSD11B1 (0.47) MAPTKMT2ASIGMAR1
SCHEMBL803677 0.83 KAT2B (0.40) KDM4EALDH1A1
SCHEMBL803083 0.83 CCR3 (0.58) ALDH1A1
SCHEMBL14393395 0.81 CHRNB2 (0.60) CHRNB2CHRNA4KDM4EALDH1A1CACNA1I
SCHEMBL8430036 0.80 CHRNB2 (0.64) CHRNB2CHRNA4KDM4ECHRM2CHRM1

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 CHRNB2 636/4885CHRNA4 720/4885KDM4E 2727/4885

“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.