SCHEMBL1035256

SCHEMBL1035256

COC(=O)C=C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 2/20 0.39
NFE2L2 Q16236 2/20 0.39
KEAP1 Q14145 1/20 0.39
ESR2 Q92731 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TTR P02766 1/20 0.31
APP P05067 1/20 0.31
SPR P35270 1/20 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
Hydrochloric Acid SCHEMBL23037273 0.98 TSHR (0.42) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL518574 0.86
SCHEMBL620969 0.82
SCHEMBL873013 0.82 TSHR (0.42) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL106091 0.80 TSHR (0.41) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL8098922 0.80 TSHR (0.41) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL8089816 0.80 TSHR (0.41) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL1187818 0.78 TSHR (0.43) TSHRHCAR2NFE2L2KEAP1ESR2
SCHEMBL5154874 0.78 ESR2 (0.55) HCAR2ESR2CA12CA1CA2
SCHEMBL25223710 0.77 TSHR (0.46) TSHRHCAR2NFE2L2KEAP1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF NOVOSTAR PHARMACEUTICALS, LTD. (CN) 2024-10-10 US disclosed
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 CN disclosed
EP-4338737-A1 PARP7 INHIBITOR AND USE THEREOF Novostar Pharmaceuticals, Ltd. (CN) 2024-03-20 EP disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 WO disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 WO disclosed
CN-115785074-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2023-03-14 CN disclosed
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-08-19 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
US-7217719-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2007-05-15 US disclosed
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-14 US disclosed
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2005-11-17 US disclosed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US disclosed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 US disclosed
WO-1999029705-A9 SIALYL LEWIS X AND SIALYL LEWIS A GLYCOMIMETICS GLYCOMED INC (US) 1999-11-11 WO disclosed
WO-1999029705-A2 SIALYL LEWIS X AND SIALYL LEWIS A GLYCOMIMETICS GLYCOMED INCORPORATED (US) 1999-06-17 WO disclosed
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP 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 (6 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-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A TSHR 112/4885HCAR2 58/4885NFE2L2 1582/4885
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A TSHR 112/4885HCAR2 58/4885NFE2L2 1582/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A TSHR 112/4885HCAR2 58/4885NFE2L2 1582/4885
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF PARP1, PARP3, PARP11 TSHR 4608/4885HCAR2 950/4885NFE2L2 3023/4885
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders SMARCC1, SMARCC2, SMARCA2 TSHR 2822/4885HCAR2 702/4885NFE2L2 640/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A TSHR 112/4885HCAR2 58/4885NFE2L2 1582/4885

“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.