SCHEMBL19155286

SCHEMBL19155286

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
CTSC P53634 2/20 0.48
CHRM1 P11229 15/20 0.41
CHRM5 P08912 1/20 0.41
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
NAMPT P43490 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL19368384 0.83 CTSC (0.53) CTSKCTSCCHRM1CHRM5KCNH2
SCHEMBL19368289 0.83 CTSC (0.52) CTSKCTSCCHRM1CHRM5KCNH2
SCHEMBL22642946 0.83 KCNH2 (0.47) CTSKCTSCKCNH2GRIN2BBRD4
SCHEMBL17794957 0.80 CHRM1 (0.59) CHRM1CHRM5
SCHEMBL19155147 0.80 CTSC (0.55) CTSKCTSCCHRM1BRD4CREBBP
SCHEMBL22643243 0.77 CTSK (0.46) CTSKCTSCCHRM1CHRM5KCNH2
SCHEMBL19155220 0.76 CTSK (0.53) CTSKCTSCCHRM1KCNH2GRIN2B
SCHEMBL19368354 0.75 CTSC (0.59) CTSKCTSCNAMPTBRD4CREBBP
SCHEMBL15471657 0.74 ESR1 (0.46)
SCHEMBL22135456 0.72 KCNH2 (0.45) CHRM1CHRM5KCNH2GRIN2B

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 CTSK 21/4885CTSC 1/4885CHRM1 757/4885

“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.