SCHEMBL5780640

SCHEMBL5780640

COc1ncccc1CN1CCC(C(=O)c2cccs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.45
NR2F2 P24468 1/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
ACKR3 P25106 3/20 0.43
SLC18A3 Q16572 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6211339 0.86 NR2F2 (0.47) ALDH1A1SMN1; SMN2GAANR2F2KDM4E
SCHEMBL5802576 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL5779372 0.82 NPC1 (0.51) ALDH1A1KDM4EHTTACKR3MAPT
SCHEMBL5780904 0.77 KDM1A (0.42) ALDH1A1KDM4EACKR3MAPTNPSR1
SCHEMBL6213917 0.77 GAA (0.70) ALDH1A1SMN1; SMN2GAAKDM4EHTT
SCHEMBL15214327 0.76 ACHE (0.54)
SCHEMBL5781505 0.76 FAAH (0.41)
SCHEMBL5780521 0.76 FAAH (0.45) SMN1; SMN2KDM4EMAPTKMT2ANPC1
SCHEMBL5783686 0.76 FAAH (0.48)
SCHEMBL5778746 0.76 CXCR4 (0.46) SMN1; SMN2KDM4EMAPTKMT2ANPC1

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 7 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 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
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO 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 (2 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 ALDH1A1 408/4885SMN1; SMN2 3906/4885GAA 4386/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ALDH1A1 14/4885SMN1; SMN2 3573/4885GAA 1467/4885

“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.