SCHEMBL6610558

SCHEMBL6610558

CS(=O)(=O)OCCCCC1C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 2/20 0.33
RET P07949 2/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL6673091 0.80 HTR6 (0.53) KDM4ELMNAHTR6SIGMAR1RET
SCHEMBL6675371 0.78 HTR6 (0.51) KDM4ELMNAHTR6SIGMAR1RET
SCHEMBL6675770 0.78 HTR6 (0.51) KDM4ELMNAHTR6SIGMAR1RET
SCHEMBL1949777 0.77 HTR6 (0.53) KDM4ELMNAHTR6SIGMAR1RET
SCHEMBL2641527 0.76 HTR6 (0.46) KDM4ELMNAHTR6SIGMAR1TP53
SCHEMBL29546963 0.76 HTR6 (0.46) KDM4ELMNAHTR6SIGMAR1TP53
SCHEMBL9315861 0.75 KCNA3 (0.48) ALDH1A1HTR6DRD2DRD3
SCHEMBL11777144 0.74 HTR6 (0.40) HTR6SIGMAR1RETHTR2A
SCHEMBL6674209 0.74 HTR6 (0.45) KDM4ELMNAHTR6SIGMAR1TP53
SCHEMBL10359804 0.74 HTR6 (0.45) KDM4ELMNAHTR6SIGMAR1TP53

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-1149087-B1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-04-07 EP disclosed
US-6596722-B2 Serotonin reuptake inhibitors/HT3 receptor antagonists useful for treatment of depression, psychosis, anxiety disorders, panic disorder, obsessive compulsive disorder, and eating disorders H. LUNDBECK A/S (DK) 2003-07-22 US disclosed
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S 2002-11-21 US disclosed
CN-1344265-A piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2002-04-10 CN disclosed
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-21 US disclosed
EP-1149087-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-31 EP disclosed
WO-2000043382-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-07-27 WO 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-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 KDM4E 729/4885LMNA 1410/4885USP2 4078/4885
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 KDM4E 729/4885LMNA 1410/4885USP2 4078/4885

“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.