SCHEMBL5778293

SCHEMBL5778293

O=C(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5776980 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EGAACHRM2
SCHEMBL5778158 0.82 CACNA2D1 (0.39)
SCHEMBL5777415 0.82 BCHE (0.48)
SCHEMBL6892501 0.82 DRD2 (0.37)
SCHEMBL5783305 0.80 KDM4E (0.44) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL5778576 0.80 CBLB (0.38) ALDH1A1TSHR
SCHEMBL28750638 0.80 ALDH1A1 (0.60) ALDH1A1LMNATSHRKDM4EGAA
SCHEMBL6895342 0.78 CXCR4 (0.48) ALDH1A1MAPTSMN1; SMN2
SCHEMBL5781757 0.78 CHRM2 (0.39) CHRM2CHRM3HTT
SCHEMBL5800036 0.78 RAB9A (0.34)

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 ALDH1A1 408/4885CYP1A2 750/4885CYP2D6 442/4885

“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.