SCHEMBL4052270

SCHEMBL4052270

CN(C)C(=O)Cc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.49
OPRK1 P41145 1/20 0.46
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
PPIB P23284 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ALOX5 P09917 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12460026 0.87 OPRK1 (0.44) NUDT1OPRK1HDAC4HDAC6CYP3A4
SCHEMBL8143899 0.83 CYP2D6 (0.46) NUDT1OPRK1HDAC4HDAC6PARP1
SCHEMBL13536796 0.81 HDAC4 (0.48) NUDT1OPRK1HDAC4HDAC6CYP3A4
SCHEMBL4698106 0.81 OPRK1 (0.42) NUDT1OPRK1CYP3A4LMNACYP1A2
SCHEMBL14340565 0.81 ALDH1A1 (0.48) NUDT1HDAC4HDAC6PARP1LMNA
SCHEMBL10567198 0.81 CA2 (0.56) NUDT1LMNATDP1ALDH1A1TSHR
SCHEMBL1973647 0.81 CA2 (0.56) NUDT1HDAC4HDAC6PARP1LMNA
SCHEMBL171877 0.81 CTBP2 (0.48) OPRK1HDAC4HDAC6CYP3A4LMNA
SCHEMBL15920608 0.81 HDAC4 (0.44) NUDT1HDAC4HDAC6PARP1TDP1
SCHEMBL12459656 0.81 PPIB (0.47) OPRK1LMNAPPIBALDH1A1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087000-A1 ELECTROLYTE, BATTERY, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2025-05-01 WO claimed
CN-119905655-A Electrolyte, battery and electric equipment 宁德时代新能源科技股份有限公司 2025-04-29 CN claimed
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 EP disclosed
WO-2025087000-A1 ELECTROLYTE, BATTERY, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2025-05-01 WO disclosed
CN-119905655-A Electrolyte, battery and electric equipment 宁德时代新能源科技股份有限公司 2025-04-29 CN disclosed
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP disclosed
US-6395905-B1 GABA-A ALPHA 5 LIGANDS USEFUL FOR ENHANCING COGNITION: MERCK SHARP & DOHME LTD. (GB) 2002-05-28 US disclosed
EP-1140855-A1 TETRAHYDROINDAZOLE DERIVATIVES AS LIGANDS FOR GABA-A ALPHA 5 RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-10 EP disclosed
WO-2000040565-A1 TETRAHYDROINDAZOLE DERIVATIVES AS LIGANDS FOR GABA-A ALPHA 5 RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-07-13 WO disclosed
US-4650810-A OR INDOLE-5-THIOACETAMIDES GLAXO GROUP LIMITED (GB) 1987-03-17 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 (4 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-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 NUDT1 209/4885OPRK1 1082/4885HDAC4 2145/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 NUDT1 206/4885OPRK1 759/4885HDAC4 1618/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C NUDT1 994/4885OPRK1 2468/4885HDAC4 72/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 NUDT1 888/4885OPRK1 3874/4885HDAC4 2102/4885

“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.