SCHEMBL5783306

SCHEMBL5783306

COc1ncc(Cl)cc1CN1CCC(C=Cc2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 4/20 0.48
MCHR1 Q99705 2/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
ATM Q13315 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5783805 0.90 MAOA (0.40) MAOAMAOBMCHR1LMNAACHE
SCHEMBL5781697 0.90 MAOA (0.50) MAOAMAOBLMNAACHEKMT2A
SCHEMBL5783644 0.89 ACHE (0.39) MAOAMAOBMCHR1LMNAACHE
SCHEMBL5778089 0.86 MAOB (0.48) MAOAMAOB
SCHEMBL1475051 0.83 MAPK1 (0.34) MAOAMAOBMEN1KMT2A
SCHEMBL1475049 0.83 MAPK1 (0.34) MAOAMAOBMEN1KMT2A
SCHEMBL1475530 0.79 MAOA (0.53) MAOAMAOBACHE
SCHEMBL1475532 0.79 MAOA (0.53) MAOAMAOBACHE
SCHEMBL5781339 0.78 MAOA (0.48) MAOAMAOBTP53SMN1; SMN2ACHE
SCHEMBL5803181 0.78 DCPS (0.46) TP53SMN1; SMN2ACHEMEN1KMT2A

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 MAOA 2275/4885MAOB 2159/4885MCHR1 1215/4885

“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.