SCHEMBL5779342

SCHEMBL5779342

COc1ncccc1CN1CCC(C(Cc2ccccc2)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 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
SCHEMBL5783247 0.87 CXCR4 (0.46) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5780219 0.87 KDM1A (0.42) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5781089 0.86 C3AR1 (0.43) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5778305 0.85 KDM1A (0.41) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5783355 0.84 KDM1A (0.40) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5779627 0.84 KDM1A (0.40) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5783203 0.83 KMT2A (0.40) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5780319 0.81 C3AR1 (0.42) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5781578 0.81 SMN1; SMN2 (0.38) KDM1AMAOBSMN1; SMN2TP53GMNN
SCHEMBL5781232 0.80 MEN1 (0.60) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 KDM1A 844/4885MAOB 2159/4885SMN1; SMN2 3906/4885

“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.