SCHEMBL2883397

SCHEMBL2883397

O=C(O)N1CCCC(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 2/20 0.46
ACHE P22303 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.44
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL23581880 1.00 HSD17B10 (0.53) HSD17B10MAPK1KMT2AALDH1A1HPGD
SCHEMBL16528509 0.85 SMN1; SMN2 (0.54) HSD17B10MAPK1KMT2AALDH1A1HPGD
SCHEMBL26077366 0.83 SMN1; SMN2 (0.50) HSD17B10KMT2AMEN1SMN1; SMN2CYP2C9
SCHEMBL29244762 0.82 ACKR3 (0.51) HSD17B10KMT2AMEN1
SCHEMBL23871348 0.82 ACKR3 (0.51) HSD17B10KMT2AMEN1
SCHEMBL21605864 0.82 ACKR3 (0.51) HSD17B10KMT2AMEN1
SCHEMBL21193355 0.79 HSD17B10 (0.48) HSD17B10MAPK1KMT2AALDH1A1HPGD
SCHEMBL2069052 0.78 FEN1 (0.48) HSD17B10KMT2AALDH1A1HPGDGAA
SCHEMBL4043389 0.78 CA12 (0.43) HSD17B10MAPK1KMT2AALDH1A1HPGD
SCHEMBL25241327 0.77 HSD17B10 (0.49) HSD17B10MAPK1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 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-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 HSD17B10 1705/4885MAPK1 2516/4885KMT2A 869/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 HSD17B10 1705/4885MAPK1 2516/4885KMT2A 869/4885

“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.