SCHEMBL3830342

SCHEMBL3830342

CC(C)(C)NC(=O)OC1CNC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.35
DPP4 P27487 2/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
SSTR4 P31391 2/20 0.33
CHRNA7 P36544 1/20 0.33
CCNE1 P24864 7/20 0.33
CDK2 P24941 7/20 0.33
GBA1 P04062 1/20 0.32
GSK3B P49841 4/20 0.32
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL18840022 0.98 L3MBTL1 (0.36) L3MBTL1EPHX1DPP4CHRNB2CHRNA4
Acetic Acid SCHEMBL27620806 0.94 L3MBTL1 (0.34) L3MBTL1EPHX1DPP4CHRNB2CHRNA4
SCHEMBL20502636 0.86 DPP4 (0.33) L3MBTL1DPP4CHRNB2CHRNA4CHRNB4
SCHEMBL1441784 0.85 CHRM3 (0.35) L3MBTL1DPP4SSTR4CCNE1CDK2
SCHEMBL954529 0.85 CHRM3 (0.35) L3MBTL1DPP4SSTR4CCNE1CDK2
SCHEMBL954528 0.85 CHRM3 (0.35) L3MBTL1DPP4SSTR4CCNE1CDK2
Hydrochloric Acid SCHEMBL28057619 0.84 DPP4 (0.35) L3MBTL1DPP4SSTR4CCNE1CDK2
Methane SCHEMBL27926432 0.84 CHRM3 (0.34) L3MBTL1DPP4SSTR4CCNE1CDK2
SCHEMBL740082 0.83 SLC6A1 (0.37) L3MBTL1EPHX1DPP4SSTR4CCNE1
Bicarbonate SCHEMBL1532914 0.83 CHRM3 (0.36) L3MBTL1DPP4CCNE1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225756-A2 AUTOTAXIN INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2023-08-16 EP disclosed
WO-2023069731-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
CN-111662232-B Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2022-08-02 CN disclosed
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-05-06 US disclosed
US-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 US disclosed
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 CN disclosed
CN-111662232-A Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2020-09-15 CN disclosed
EP-1829879-A1 Amino pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-09-05 EP disclosed
WO-2007090854-A1 AZETIDINE AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 WO disclosed
WO-2007090852-A1 AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME LIMITED (GB) 2007-08-16 WO disclosed
CN-1901916-A Quinazolinone compounds with reduced in vivo accumulation CHIRON CORP (US) 2007-01-24 CN disclosed
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP disclosed
CN-1829517-A Guanidino-substituted quinazolines as MC 4-R agonists CHIRON CORP (US) 2006-09-06 CN disclosed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 WO disclosed
CN-1636990-A Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LAB (US) 2005-07-13 CN disclosed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 CN disclosed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN 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-10889591-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B L3MBTL1 3651/4885EPHX1 427/4885DPP4 99/4885
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B L3MBTL1 3651/4885EPHX1 427/4885DPP4 99/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 L3MBTL1 4750/4885EPHX1 1862/4885DPP4 1130/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 L3MBTL1 4750/4885EPHX1 1862/4885DPP4 1130/4885

“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.