SCHEMBL19155102

SCHEMBL19155102

CC1CCC(C(C)C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
TRPM8 Q7Z2W7 4/20 0.38
TRPA1 O75762 2/20 0.38
GABRA1 P14867 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRR1 P24046 2/20 0.34
GABRA4 P48169 1/20 0.34
ALOX5 P09917 1/20 0.32
ACE P12821 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL3270403 0.88 EPHX1 (0.34) EPHX1TRPM8TRPA1GABRA1GABRA5
SCHEMBL18629656 0.86 MEN1 (0.36) EPHX1TRPM8TRPA1GABRA1GABRA5
SCHEMBL10280048 0.86 MEN1 (0.36) EPHX1TRPM8TRPA1GABRA1GABRA5
SCHEMBL4706834 0.81
SCHEMBL14599126 0.81
SCHEMBL1904748 0.81
SCHEMBL17755867 0.79 EPHX1 (0.38) EPHX1TRPM8TRPA1ALOX5
Ammonia Solution, Strong SCHEMBL27687915 0.79
Hydrochloric Acid SCHEMBL8026838 0.79
SCHEMBL2232208 0.78 DPP4 (0.41) GABRA1GABRA5GABRB2GABRR1GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473518-B Bisphosphonic acid compounds 株式会社富士药品 2021-07-06 CN disclosed
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190167636-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) 2019-06-06 US disclosed
US-10238633-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) 2019-03-26 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
CN-108473518-A New double phosphinic acid compounds 株式会社富士药品 2018-08-31 CN disclosed
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 (5 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-10238633-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 CTSC, CTSG, CTSZ EPHX1 584/4885TRPM8 4220/4885TRPA1 4774/4885
US-20190167636-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 EPHX1 584/4885TRPM8 4220/4885TRPA1 4774/4885
US-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 EPHX1 1992/4885TRPM8 1230/4885TRPA1 585/4885
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 EPHX1 584/4885TRPM8 4220/4885TRPA1 4774/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 EPHX1 2353/4885TRPM8 1348/4885TRPA1 676/4885

“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.