SCHEMBL15436751

SCHEMBL15436751

CC(=O)N[C@H]1CCCC[C@@H]1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 6/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
OGA O60502 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 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
SCHEMBL2005403 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19633320 0.86
SCHEMBL283284 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL282958 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL282957 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11818077 0.78 MMP2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15436750 0.78 MMP2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16472092 0.78 LMNA (0.35) ALDH1A1EPHX1
SCHEMBL16472091 0.78 USP2 (0.39) ALDH1A1EPHX1SMN1; SMN2NPSR1EPHX2
SCHEMBL23772463 0.76 EPHX1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2687515-A1 METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE Shionogi & Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 US disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 US 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-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE HSD11B1, HSD11B2, HSD17B1 PSEN1 3664/4885PSEN2 4192/4885APH1B 731/4885

“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.