SCHEMBL18279752

SCHEMBL18279752

O=C(O)C1CC(F)CCC1c1nn(-c2ccc(F)cn2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
GRM1 Q13255 2/20 0.32
TBXA2R P21731 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
GRIN2B Q13224 1/20 0.31
ADORA2A P29274 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SCD O00767 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL18279728 0.88 HCAR2 (0.37) TRPV4TBXA2RHRH3GRIN2BHCAR2
SCHEMBL17008778 0.88 HCAR2 (0.37) TRPV4TBXA2RHRH3GRIN2BHCAR2
SCHEMBL18279727 0.88 TRPV4 (0.33) TRPV4HRH3GRIN2B
SCHEMBL17008326 0.88 TRPV4 (0.33) TRPV4HRH3GRIN2B
SCHEMBL18279731 0.82 TRPV4 (0.34) TRPV4GRM1HRH3GRIN2BSCD
SCHEMBL18279704 0.82 TRPV4 (0.34) TRPV4GRM1HRH3GRIN2BSCD
SCHEMBL17008747 0.78 HDAC9 (0.36) GRM1HRH3FFAR4
SCHEMBL18279701 0.78 CTSK (0.45)
SCHEMBL17008214 0.78 CTSK (0.52)
SCHEMBL18279702 0.78 CTSK (0.52)

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 TRPV4 3428/4885GRM1 4782/4885TBXA2R 4473/4885

“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.