SCHEMBL13848501

SCHEMBL13848501

CCc1cccn(C(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
MGLL Q99685 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
NPEPPS P55786 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL21659026 0.86 PTGS2 (0.44) PTGS2GABRA1GABRB2KMT2ATSHR
SCHEMBL1106459 0.85 PTGS2 (0.42) PTGS2KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL21658869 0.85 PTGS2 (0.46) PTGS2GABRA1GABRB2HDAC3HDAC4
SCHEMBL1106460 0.82 PTGS2 (0.41) PTGS2TSHRACVR1LMNA
SCHEMBL21476168 0.79 TAAR1 (0.42) PTGS2
SCHEMBL21475999 0.78 ALDH1A1 (0.42) PTGS2KMT2APOLBKDM4EMEN1
SCHEMBL18379277 0.77 TDP1 (0.39) PTGS2GABRA1GABRB2NPEPPSTSHR
SCHEMBL23426316 0.77 PTGS2 (0.37) PTGS2
SCHEMBL21658781 0.77 KAT2B (0.43) PTGS2
SCHEMBL23257078 0.76 PTGS2 (0.46) PTGS2KDM5ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-9902741-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-27 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-10-05 US disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 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 (8 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-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS2 3317/4885MGLL 4023/4885GABRA1 2754/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 PTGS2 1178/4885MGLL 1891/4885GABRA1 1611/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN PTGS2 1192/4885MGLL 2690/4885GABRA1 2263/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PTGS2 1553/4885MGLL 3612/4885GABRA1 3490/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B PTGS2 1741/4885MGLL 3130/4885GABRA1 2497/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B PTGS2 1523/4885MGLL 3108/4885GABRA1 2395/4885
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PTGS2 3848/4885MGLL 4448/4885GABRA1 2223/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN PTGS2 1192/4885MGLL 2690/4885GABRA1 2263/4885

“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.