SCHEMBL18279750

SCHEMBL18279750

O=C(O)C1CCCCC1c1nn(-c2cncc(Cl)c2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
ALOX5AP P20292 11/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
PTGES O14684 1/20 0.33
PTGS2 P35354 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL18279800 0.88 SLC6A2 (0.35) JAK2JAK1
SCHEMBL17008378 0.78 CTSK (0.43) ALOX5APTBXA2R
SCHEMBL18279779 0.78 CTSK (0.43) ALOX5APTBXA2R
SCHEMBL17008365 0.75 CTSK (0.48) ALOX5APPTGESPTGS2
SCHEMBL17008368 0.75 CTSK (0.55) ALOX5APPTGESPTGS2
SCHEMBL18279728 0.72 HCAR2 (0.37) ALOX5APTBXA2RHCAR2
SCHEMBL17008778 0.72 HCAR2 (0.37) ALOX5APTBXA2RHCAR2
SCHEMBL18279709 0.70 ALOX5AP (0.33) ALOX5AP
SCHEMBL18279732 0.67 CTSK (0.47) JAK2
SCHEMBL17008267 0.67 CTSK (0.47) JAK2

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-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 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-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ GRM4 4831/4885ALOX5AP 2445/4885JAK2 3823/4885

“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.