SCHEMBL13490481

SCHEMBL13490481

CCN(CC)OOSc1cccc(C2=CCCN(Cc3ccccc3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL13490484 0.75 KMT2A (0.39) C5AR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13490646 0.75 LMNA (0.41) C5AR1ACHEKDM4EALDH1A1KMT2A
SCHEMBL14544020 0.73 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL13592727 0.73 SIGMAR1 (0.40) BCHEACHEKDM4EALDH1A1KMT2A
SCHEMBL13490488 0.69 LMNA (0.38) C5AR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13490479 0.67 MAPT (0.44) ALDH1A1KMT2ASIGMAR1MAPT
SCHEMBL13490470 0.67 DRD2 (0.42) KDM4EALDH1A1NPSR1SIGMAR1HPGD
SCHEMBL13592661 0.66 TP53 (0.36) BCHEACHEKDM4EALDH1A1KMT2A
SCHEMBL13490577 0.65 LMNA (0.47) ACHEALDH1A1SMN1; SMN2SIGMAR1MAPT
SCHEMBL10640414 0.65 SIGMAR1 (0.52) ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (2 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 C5AR1 670/4885BCHE 1027/4885ACHE 818/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 C5AR1 621/4885BCHE 1089/4885ACHE 725/4885

“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.