SCHEMBL803669

SCHEMBL803669

CC(C)(C)CC1CCN(Cc2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.60
CHRNA4 P43681 1/20 0.60
KDM4E B2RXH2 3/20 0.51
CACNA1I Q9P0X4 1/20 0.51
TRPV6 Q9H1D0 2/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CXCR4 P61073 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.48
CHRM4 P08173 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL803678 0.92 CHRNB2 (0.54) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL14393395 0.86 CHRNB2 (0.60) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL8430036 0.85 CHRNB2 (0.64) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL17471175 0.84 CHRNB2 (0.62) CHRNB2CHRNA4KDM4ETRPV6KMT2A
SCHEMBL803673 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KDM4ETRPV6KMT2A
SCHEMBL13597001 0.83 KMT2A (0.60) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL12120543 0.83 CHRNB2 (0.60) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL23028620 0.82 CHRNB2 (0.64) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL29508484 0.82 CHRNB2 (0.64) CHRNB2CHRNA4KDM4ECACNA1ITRPV6
SCHEMBL803087 0.82 ACHE (0.49) KDM4ETRPV6KMT2ASIGMAR1ALDH1A1

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.