SCHEMBL6282998

SCHEMBL6282998

O=C(N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(F)(F)F)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.56
CTSS P25774 4/20 0.56
CTSL P07711 2/20 0.56
CASP1 P29466 2/20 0.50
F2 P00734 2/20 0.48
CTSK P43235 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
CTRB1 P17538 2/20 0.44
TACR1 P25103 1/20 0.44
PLAU P00749 2/20 0.44
TGM2 P21980 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PLAT P00750 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PSMB5 P28074 1/20 0.41

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
SCHEMBL5704587 0.88 TRPM8 (0.57) CTSBCTSSCTSLCTSKTRPM8
SCHEMBL5704586 0.85 LTA4H (0.53) TRPM8CTRB1ITGB3ITGA2B
SCHEMBL7435196 0.85 CTSB (0.59) CTSBCTSSCTSLCASP1F2
SCHEMBL5704657 0.84 TRPM8 (0.51) CTSBCTSSCTSLCTSKTRPM8
SCHEMBL6282238 0.80 CMA1 (0.54)
Acetone SCHEMBL7365925 0.79 CTSB (0.53) CTSBCTSSCTSLCASP1F2
SCHEMBL4634963 0.79 CTSB (0.72) CTSBCTSSCTSLCASP1F2
SCHEMBL18623602 0.79 CTSB (0.72) CTSBCTSSCTSLCASP1F2
SCHEMBL22764775 0.79 CTSB (0.72) CTSBCTSSCTSLCASP1F2
SCHEMBL7428630 0.79 TRPM8 (0.55) CTSBCTSSCTSLCTSKTRPM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 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-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 CTSB 26/4885CTSS 10/4885CTSL 5/4885

“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.