SCHEMBL5780302

SCHEMBL5780302

COc1ncc(-c2ccncc2)cc1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.60
TTK P33981 1/20 0.60
AURKB Q96GD4 1/20 0.60
INCENP Q9NQS7 1/20 0.60
PDGFRB P09619 7/20 0.47
PDGFRA P16234 7/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPT P10636 2/20 0.43
CASP1 P29466 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5782653 0.86 MAPT (0.59) AURKATTKAURKBINCENPPDGFRB
SCHEMBL5783941 0.85 PDGFRB (0.51) AURKATTKAURKBINCENPPDGFRB
SCHEMBL12427698 0.83 EGLN1 (0.45) AURKATTKAURKBINCENPCYP11B1
SCHEMBL12427700 0.82 MAP4K4 (0.42) AURKATTKAURKBINCENPMAPT
SCHEMBL12427701 0.77 CYP11B2 (0.47) CYP11B1CYP11B2MAPTCASP1CYP1A2
SCHEMBL22770848 0.76 GRIN2B (0.46)
SCHEMBL7281860 0.76 AURKA (0.66) AURKATTKAURKBINCENPPDGFRB
SCHEMBL7270968 0.76 AURKA (0.66) AURKATTKAURKBINCENPPDGFRB
SCHEMBL2684595 0.76 AURKA (1.00) AURKATTKAURKBINCENPPDGFRB
SCHEMBL12427696 0.74 GRIN2B (0.54) ALDH1A1CDK2

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 AURKA 2019/4885TTK 3853/4885AURKB 2515/4885

“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.