SCHEMBL5782258

SCHEMBL5782258

O=C(OCc1ccccc1)N1CCC(C=Cc2ccccc2OCC2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GRIN2B Q13224 10/20 0.48
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL5782257 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5782610 0.84 SRC (0.37) SMN1; SMN2NPC1RAB9AGRIN2BFAAH
SCHEMBL8418046 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5782071 0.81 SIGMAR1 (0.48)
SCHEMBL21497614 0.78 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL148455 0.75 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5445958 0.74 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5223247 0.74 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL17127000 0.73 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL1477872 0.73 SLC6A4 (0.43) FAAHCNR2

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 SMN1; SMN2 3906/4885NPC1 309/4885RAB9A 1912/4885

“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.