SCHEMBL698732

SCHEMBL698732

O=C(O)C1CC2C=CCC(C2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.46
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL19860333 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL15466878 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1848855 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL20201900 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL14791315 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL698731 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL698234 0.78 ABAT (0.33) ABAT
SCHEMBL375674 0.78
SCHEMBL14211851 0.74
SCHEMBL15466503 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119053596-A Heterocyclic compounds as kinase inhibitors, compositions and methods of use 捷思英达控股有限公司 2024-11-29 CN disclosed
WO-2023216237-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-11-16 WO disclosed
CN-114127080-B Heterocyclic compounds as kinase inhibitors, compositions comprising the same, and methods of use thereof 捷思英达医药技术(上海)有限公司 2023-05-05 CN disclosed
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 US disclosed
EP-3980425-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS InnoPharm (Shanghai) Ltd. (CN) 2022-04-13 EP disclosed
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
EP-3349752-B1 AZA-ADAMANTANE COMPOUND FOR WOUND HEALING CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2021-06-30 EP disclosed
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-10328063-B2 Method of wound healing CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2019-06-25 US disclosed
US-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-01 US disclosed
EP-2423212-A1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2012-02-29 EP disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
EP-2324013-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2011-05-25 EP disclosed
US-20100311977-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-09 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
EP-2221306-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE Nissan Chemical Industries, Ltd. (JP) 2010-08-25 EP disclosed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO disclosed
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 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 (10 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-10328063-B2 Method of wound healing MMP8, MMP1, UNG ABAT 2153/4885CYP1A2 1430/4885CYP2D6 2322/4885
US-20100311977-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE CYP21A2, CYP51A1, CYP19A1 ABAT 178/4885CYP1A2 8/4885CYP2D6 25/4885
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ABAT 533/4885CYP1A2 3219/4885CYP2D6 3369/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 ABAT 1241/4885CYP1A2 950/4885CYP2D6 504/4885
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds QDPR, P2RX4, P2RX5 ABAT 1926/4885CYP1A2 666/4885CYP2D6 224/4885
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR ABAT 1457/4885CYP1A2 979/4885CYP2D6 658/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ABAT 1846/4885CYP1A2 241/4885CYP2D6 240/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ABAT 533/4885CYP1A2 3219/4885CYP2D6 3369/4885
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF RET, BRAF, ROR1 ABAT 3210/4885CYP1A2 4764/4885CYP2D6 4351/4885
US-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND CNKSR1, HDAC11, HDAC1 ABAT 262/4885CYP1A2 148/4885CYP2D6 169/4885

“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.