SCHEMBL483036

SCHEMBL483036

CC(=O)C1(C)CC(NC(=O)OCc2ccccc2)c2c(ccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.38
DRD3 P35462 5/20 0.38
DRD2 P14416 4/20 0.38
NAAA Q02083 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL483110 0.83 HTR6 (0.40) HTR6DRD3DRD2NAAACA1
SCHEMBL483035 0.83 ALOX5 (0.38) HTR6DRD3DRD2
SCHEMBL482713 0.77 HTR6 (0.39) HTR6DRD3DRD2NAAACA1
SCHEMBL483108 0.68 HTR6 (0.40) HTR6DRD3DRD2
SCHEMBL7424793 0.68 MAPT (0.48) HTR6
SCHEMBL482712 0.64 ALOX5 (0.39) HTR6DRD3DRD2
SCHEMBL28630064 0.64 JAK2 (0.40) CA1CA2F13A1TGM2TGM1
SCHEMBL30622231 0.64 JAK2 (0.40) CA1CA2F13A1TGM2TGM1
SCHEMBL2229724 0.63 TGM2 (0.47) HTR6CA1CA2F13A1TGM2
SCHEMBL10167612 0.61 ALDH1A1 (0.55)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604030-B2 Fused piperidine compound and pharmaceutical containing same KOWA COMPANY, LTD. (JP) 2013-12-10 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
EP-2412710-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-02-01 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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ HTR6 1473/4885DRD3 135/4885DRD2 65/4885

“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.