SCHEMBL18212445

SCHEMBL18212445

C[C@H](CN1CCCC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL18212448 1.00 MEN1 (0.41) MEN1KMT2AMAPTATMANPEP
SCHEMBL2611138 0.98 MEN1 (0.44) MEN1KMT2AMAPTATMANPEP
SCHEMBL30341011 0.91 MEN1 (0.43) MEN1KMT2AMAPTATMANPEP
SCHEMBL28669044 0.76 MEN1 (0.41) MEN1KMT2AMAPTATMANPEP
SCHEMBL18205231 0.76 MEN1 (0.41) MEN1KMT2AMAPTATMANPEP
SCHEMBL18205145 0.76 MEN1 (0.41) MEN1KMT2AMAPTATMANPEP
SCHEMBL25539500 0.73 ROCK2 (0.31) HRH3
SCHEMBL19228629 0.73 MEN1 (0.38) MEN1KMT2AMAPTATMANPEP
SCHEMBL12714698 0.72
SCHEMBL996901 0.72

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-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MEN1 3789/4885KMT2A 84/4885MAPT 3029/4885

“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.