SCHEMBL3318489

SCHEMBL3318489

CC(NC1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA7 P36544 1/20 0.56
CHRNA4 P43681 1/20 0.56
HTT P42858 1/20 0.49
ACACB O00763 3/20 0.46
ACACA Q13085 3/20 0.46
SLC6A7 Q99884 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PTPN1 P18031 1/20 0.44
GHSR Q92847 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NAAA Q02083 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL3315251 0.86 ACACB (0.52) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3317869 0.82 HRH3 (0.47) ACACBACACAGAAL3MBTL1HRH3
SCHEMBL16000520 0.76 HTT (0.63) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL15154807 0.76 KMT2A (0.72) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL14600382 0.73 HTT (0.66) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL16002931 0.73 HTT (0.66) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3318604 0.72 KDM1A (0.49) MEN1KMT2AACACB
SCHEMBL3316343 0.72 GAA (0.49) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL16564154 0.71 MEN1 (0.54) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL14632231 0.70 ACHE (0.74) MEN1KMT2ACHRNB2CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 MEN1 2995/4885KMT2A 3099/4885CHRNB2 45/4885

“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.