SCHEMBL5800737

SCHEMBL5800737

O=c1[nH]cccc1CN1CCC(CCc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
CHRM1 P11229 4/20 0.45
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 3/20 0.45
RECQL P46063 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 1/20 0.42
C5AR1 P21730 1/20 0.42
GAA P10253 2/20 0.42
DRD2 P14416 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL5778729 0.84 ACHE (0.49) KMT2AALDH1A1CHRM1BCHEACHE
SCHEMBL5780975 0.84 MPO (0.46) ALDH1A1KDM4EBCHEACHEMAOA
SCHEMBL5781460 0.83 DRD2 (0.55) ALDH1A1ATMACHEMAOAMAOB
SCHEMBL5783305 0.82 KDM4E (0.44) KMT2AALDH1A1KDM4ECHRM1ATM
SCHEMBL5781924 0.82 ACHE (0.43) ACHEDRD2
SCHEMBL5779401 0.81 CHRM1 (0.45) CHRM1MAOAMAOBDRD2
SCHEMBL5778815 0.81 KCNH2 (0.53)
Oxalic Acid SCHEMBL5782385 0.80 KDM4E (0.44) KMT2AALDH1A1KDM4EBCHEACHE
SCHEMBL5781366 0.80 HTR2A (0.40) BCHEACHEMAOAMAOBDRD2
SCHEMBL5781625 0.80 DRD2 (0.48) ACHEMAOAMAOBDRD2POLB

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 KMT2A 1308/4885ALDH1A1 408/4885KDM4E 2057/4885

“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.