SCHEMBL5776980

SCHEMBL5776980

O=C(c1cccs1)C1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 4/20 0.45
SLC18A3 Q16572 1/20 0.45
HTR2A P28223 1/20 0.42
NR2F2 P24468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
ACKR3 P25106 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5778293 0.84 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2KDM4ECHRM2
SCHEMBL28750638 0.81 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL6211339 0.77 NR2F2 (0.47) ALDH1A1GAASLC18A3NR2F2SMN1; SMN2
SCHEMBL6213917 0.77 GAA (0.70) ALDH1A1GAASMN1; SMN2KDM4ECHRM2
SCHEMBL5781757 0.75 CHRM2 (0.39) CHRM2CHRM3
SCHEMBL5780640 0.75 ALDH1A1 (0.46) ALDH1A1GAASLC18A3NR2F2SMN1; SMN2
SCHEMBL5782055 0.73 CHRM2 (0.38) CHRM2CHRM3
SCHEMBL5778158 0.71 CACNA2D1 (0.39)
SCHEMBL621714 0.71 ALDH1A1 (0.58) ALDH1A1GAASLC18A3NR2F2SMN1; SMN2
SCHEMBL5960277 0.70 ALDH1A1 (0.68) ALDH1A1GAASLC18A3NR2F2SMN1; SMN2

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 408/4885GAA 4386/4885SLC18A3 899/4885

“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.