SCHEMBL12251997

SCHEMBL12251997

CCCN1CCN(CCC(=O)N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PAOX Q6QHF9 1/20 0.35
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PKM P14618 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14871082 0.88 PKM (0.45) ALDH1A1POLBLMNAHTTKMT2A
SCHEMBL18389827 0.86 PAOX (0.48) ALDH1A1MAPTLMNATSHRL3MBTL1
SCHEMBL19275359 0.84 ALDH1A1 (0.54) ALDH1A1LMNADRD2SIGMAR1SMN1; SMN2
SCHEMBL27976380 0.83 ALDH1A1 (0.54) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL18713113 0.80 OPRL1 (0.48) ALDH1A1HRH3TP53
SCHEMBL12228840 0.79 ALDH1A1 (0.36) ALDH1A1MAPTPOLBHTTKMT2A
SCHEMBL18705050 0.79 DAO (0.39) ALDH1A1MAPTPOLBSIGMAR1HRH3
SCHEMBL20641807 0.78 ALDH1A1 (0.38) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL2910116 0.78 GLA (0.58) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL14839105 0.78 SIGMAR1 (0.41) ALDH1A1MAPTPOLBHRH2HRH1

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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 ALDH1A1 4061/4885MAPT 997/4885POLB 2199/4885

“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.