SCHEMBL2017644

SCHEMBL2017644

CC(O)Cc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.36
TAAR1 Q96RJ0 5/20 0.35
SLC6A2 P23975 3/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
NOS2 P35228 1/20 0.34
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.31
ALB P02768 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL29202562 1.00 TRPA1 (0.36) TRPA1TAAR1SLC6A2ESR1ESR2
SCHEMBL11477056 0.82 TRPA1 (0.38) TRPA1TAAR1SLC6A2ESR1ESR2
SCHEMBL3026563 0.82 TRPA1 (0.38) TRPA1TAAR1SLC6A2ESR1ESR2
SCHEMBL196800 0.82 TAAR1 (0.48) TRPA1TAAR1SLC6A2ESR1ESR2
SCHEMBL59521 0.80 PTGS1 (0.42) ESR1LMNAALBALOX5RARB
SCHEMBL8133496 0.80 TAAR1 (0.33) TRPA1TAAR1SLC6A2ESR1ESR2
Water SCHEMBL27361343 0.80 PTGS1 (0.42) ESR1LMNAALBALOX5RARB
Water SCHEMBL29289437 0.78 TRPA1 (0.57) TRPA1TAAR1SLC6A2MAOASLC6A4
SCHEMBL27399339 0.78 PTGS1 (0.41) ESR1LMNAALBALOX5RARB
SCHEMBL27360231 0.78 PTGS1 (0.41) ESR1LMNAALBALOX5RARB

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 US claimed
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 EP claimed
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 CN claimed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 WO claimed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 US claimed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO claimed
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US claimed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US claimed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN claimed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP claimed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO claimed
CN-117143480-A Active ray-curable ink, method for forming cured product, and light-storage plate 柯尼卡美能达株式会社 2023-12-01 CN disclosed
US-4520095-A STABLE CYAN DYE FOR COLOR DIFFUSION TRANSFER IN SILVER HALIDE EMULSION-CONTAINING FILMS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-05-28 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 (3 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-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TRPA1 4730/4885TAAR1 4689/4885SLC6A2 2788/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TRPA1 4730/4885TAAR1 4689/4885SLC6A2 2788/4885
US-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 TRPA1 4390/4885TAAR1 3508/4885SLC6A2 4403/4885

“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.