SCHEMBL19155147

SCHEMBL19155147

CCc1ccc(-c2cnn(C(=O)C3CCOCC3)c2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.55
CTSK P43235 5/20 0.55
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
WNT1 P04628 1/20 0.44
CHRM1 P11229 8/20 0.42
CREBBP Q92793 3/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL22643282 0.86 CTSK (0.49) CTSCCTSKGSK3BDYRK1AWNT1
SCHEMBL19155286 0.80 CTSK (0.48) CTSCCTSKCHRM1CREBBPBRD4
SCHEMBL19155346 0.75 CTSC (0.55) CTSCCTSKCHRM1
SCHEMBL19155068 0.75 CTSC (0.55) CTSCCTSKCHRM1
SCHEMBL19155042 0.75 CTSC (0.55) CTSCCTSKCHRM1
SCHEMBL19368289 0.74 CTSC (0.52) CTSCCTSKCHRM1
SCHEMBL19368384 0.74 CTSC (0.53) CTSCCTSKCHRM1
SCHEMBL17794957 0.74 CHRM1 (0.59) CHRM1
SCHEMBL24958712 0.73 BRD4 (0.45) CTSCCTSKCHRM1CREBBPBRD4
SCHEMBL19155121 0.70 CTSC (0.55) CTSCCTSKCHRM1

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-20170266160-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-09-21 US disclosed
US-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 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-20170266160-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CTSC 1/4885CTSK 21/4885GSK3B 2428/4885

“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.