SCHEMBL13490671

SCHEMBL13490671

CCOc1ccc(C2=CCCN(C=O)C2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM1 P11229 1/20 0.33
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NQO1 P15559 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MITF O75030 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
SCHEMBL13490644 0.80 CCR1 (0.42) CHRM1CHRM2CHRM3
SCHEMBL13490381 0.79 KDM4E (0.39) ALDH1A1SMN1; SMN2TNKS2L3MBTL1KDM4E
SCHEMBL169361 0.78 CDK13 (0.34) CHRM1
SCHEMBL169422 0.77 KDM4E (0.31) MAPTRAB9ANPC1ALDH1A1CHRM2
SCHEMBL171305 0.77 HRH3 (0.37)
SCHEMBL31692110 0.69 NQO1 (0.59) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL171437 0.68 P4HTM (0.39) MAPTALDH1A1SMN1; SMN2TNKS2L3MBTL1
SCHEMBL13490655 0.68 PTGS1 (0.30)
SCHEMBL13490391 0.67 CHRM2 (0.52) CHRM1CHRM2CHRM3
SCHEMBL171149 0.66 SIGMAR1 (0.50) MAPTALDH1A1CHRM2CHRM3KDM4E

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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 PDE4D 1083/4885MAPT 3815/4885RAB9A 1883/4885

“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.