SCHEMBL5779587

SCHEMBL5779587

COc1ncccc1CN1CCC(C(C)c2ccccc2CCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GMNN O75496 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PMP22 Q01453 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM1A O60341 3/20 0.40
MAOB P27338 1/20 0.40
ALPL P05186 2/20 0.40
ALPI P09923 2/20 0.40
ALPG P10696 2/20 0.40
C3AR1 Q16581 1/20 0.40
CXCR4 P61073 1/20 0.39

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
SCHEMBL6886679 0.86 MCHR1 (0.38) DRD2DRD4ALDH1A1ALPLALPI
SCHEMBL5781439 0.81 MAPT (0.41) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL5779581 0.81 DRD2 (0.55) DRD2DRD4DRD3CXCR4
SCHEMBL5780194 0.79 DRD2 (0.61) DRD2DRD4DRD3MAOBCXCR4
SCHEMBL5783247 0.79 CXCR4 (0.46) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL5780219 0.79 KDM1A (0.42) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL5779342 0.79 KDM1A (0.42) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL5781089 0.78 C3AR1 (0.43) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL5778785 0.78 DRD2 (0.53) DRD2DRD4DRD3SMN1; SMN2CXCR4
SCHEMBL5778305 0.77 KDM1A (0.41) DRD2DRD4DRD3SMN1; SMN2GMNN

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 DRD2 53/4885DRD4 117/4885DRD3 89/4885

“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.