SCHEMBL5071671

SCHEMBL5071671

O=C1C2CCC1Cc1cc(Br)ccc1C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
METAP1 P53582 2/20 0.41
TDP2 O95551 1/20 0.40
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36

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
SCHEMBL13866811 0.77 DRD2 (0.49)
SCHEMBL1025843 0.77 DRD2 (0.49)
SCHEMBL13241438 0.77 ACHE (0.44) METAP1PARP10PARP11
SCHEMBL4045125 0.77 PSEN1 (0.42)
SCHEMBL13241439 0.77 ACHE (0.44) METAP1PARP10PARP11
SCHEMBL13866808 0.74 IDO1 (0.44)
SCHEMBL2485525 0.74 IDO1 (0.44)
SCHEMBL6317426 0.74 IDO1 (0.44)
SCHEMBL3033723 0.73 ALDH1A1 (0.49) TDP2TDP1L3MBTL1
SCHEMBL3028797 0.73 ALDH1A1 (0.49) TDP2TDP1L3MBTL1

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-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-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 (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-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 PNMT 2453/4885ADRA2A 4240/4885ADRA2B 4010/4885

“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.