SCHEMBL5073393

SCHEMBL5073393

COC(=O)c1ccc2c(c1)CC1CCC(C2)C1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ATM Q13315 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
GLA P06280 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 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
SCHEMBL4637133 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL24650415 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL16527088 0.82 CHRNB2 (0.46) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL16716449 0.80 CHRNB2 (0.51) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL10247424 0.79 DRD2 (0.57) ALDH1A1MAPTHSD17B10
SCHEMBL355227 0.79 DRD2 (0.57) ALDH1A1MAPTHSD17B10
SCHEMBL10247342 0.79 DRD2 (0.57) ALDH1A1MAPTHSD17B10
SCHEMBL353908 0.79 OPRK1 (0.54)
Hydrochloric Acid SCHEMBL353594 0.78 DRD2 (0.56) ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL354592 0.78 DRD2 (0.56) ALDH1A1MAPTHSD17B10

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
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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 (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-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 ALDH1A1 1651/4885KDM4E 3808/4885HPGD 2161/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 ALDH1A1 2709/4885KDM4E 2984/4885HPGD 1728/4885

“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.