SCHEMBL65733

SCHEMBL65733

CON(C)C(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR1H4 Q96RI1 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
SCHEMBL18573688 1.00 CES2 (0.42) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL13543609 1.00 CES2 (0.42) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL3427267 1.00 CES2 (0.42) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL18214886 1.00 CES2 (0.42) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL1341780 0.98 CES2 (0.39) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL1340689 0.93 RIPK1 (0.35) CES2CES1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18994335 0.92 CES2 (0.37) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL22013333 0.92 CES2 (0.37) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL9042000 0.90 CES2 (0.33) CES2CES1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL428708 0.89 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 — — US claimed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 — — US claimed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 — — US claimed
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — US disclosed
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 — — US disclosed
US-20250129067-A1 PLATELET-DERIVED GROWTH FACTOR RECEPTOR (PDGFR) ALPHA INHIBITORS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2025-04-24 — — US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
US-20250059200-A1 PROCESS FOR C-H INSERTION BY GEM-HYDROGENATION OF AN INTERNAL ALKYNE STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2025-02-20 — — US disclosed
CN-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 — — CN disclosed
WO-2001023380-A1 PIPERIDINE DERIVATIVES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-05 — — WO disclosed
EP-0982304-A1 Piperidine derivatives having effects on serotonin related systems ELI LILLY AND COMPANY (US) 2000-03-01 — — EP disclosed
WO-2000000203-A1 AZEPINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 — — WO disclosed
WO-2000000198-A1 PIPERIDINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 — — WO disclosed
WO-2000000196-A1 PYRROLIDINE AND PYRROLINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 — — WO disclosed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 — — WO disclosed
EP-0924205-A1 Arylpiperazines having activity at the serotonin 1a receptor ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 — — WO disclosed
US-4927963-A Novel processes for the synthesis of certain bicyclo(4.2.0)octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1990-05-22 — — 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-20250059200-A1 PROCESS FOR C-H INSERTION BY GEM-HYDROGENATION OF AN INTERNAL ALKYNE GGH, GEMIN4, GMNN CES2 767/4885CES1 963/4885SMN1; SMN2 3895/4885
US-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB CES2 4870/4885CES1 1997/4885SMN1; SMN2 3836/4885
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK CES2 4289/4885CES1 3108/4885SMN1; SMN2 4722/4885
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK CES2 3341/4885CES1 2599/4885SMN1; SMN2 4593/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK CES2 4289/4885CES1 3108/4885SMN1; SMN2 4722/4885
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 CES2 3131/4885CES1 2029/4885SMN1; SMN2 2828/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK CES2 4289/4885CES1 3108/4885SMN1; SMN2 4722/4885
US-20250129067-A1 PLATELET-DERIVED GROWTH FACTOR RECEPTOR (PDGFR) ALPHA INHIBITORS AND USES THEREOF PDGFRB, PDGFRA, PDGFA CES2 4687/4885CES1 4238/4885SMN1; SMN2 354/4885

“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.

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