SCHEMBL740082

SCHEMBL740082

CC(C)(C)NC(=O)O[C@@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
EPHX1 P07099 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR4 P31391 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
ROCK1 Q13464 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
SCHEMBL17513413 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3698542 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL28493616 0.95 EPHX1 (0.39) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1441784 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
SCHEMBL954528 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
SCHEMBL954529 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
Methane SCHEMBL27926432 0.89 CHRM3 (0.34) DPP4L3MBTL1SSTR4CCNE1CDK2
Hydrochloric Acid SCHEMBL28057619 0.89 DPP4 (0.35) DPP4L3MBTL1SSTR4CCNE1CDK2
SCHEMBL16505644 0.87 EPHX1 (0.40) SMN1; SMN2EPHX1DPP4L3MBTL1CCNE1
Bicarbonate SCHEMBL1532914 0.87 CHRM3 (0.36) SLC6A1SLC6A11LMNASLC6A13DPP4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094265-B Pyrazole derivative compound and use thereof 韩美药品株式会社 2023-07-25 CN disclosed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
EP-3790870-A1 CYCLOPENTANE COMPOUNDS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-03-17 EP disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
WO-2019215268-A1 CYCLOPENTANE COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-12-13 US disclosed
EP-3381896-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-03 EP disclosed
CN-104072489-A Therapeutic isoxazole compounds HELICON THERAPEUTICS INC 2014-10-01 CN disclosed
CN-101820764-B Therapeutic isoxazole compounds HELICON THERAPEUTICS INC 2014-06-04 CN disclosed
US-8138207-B2 Antidiabetic agents, carbohydrate and lipid metabolic disorders; 2-(amino-substituted piperidin-1-yl)benzimidazoles; N-[2-(3-Aminopiperidin-1-yl)-1-(3-methylbut-2-enyl)-1H-benzimidazol-6-y]-benzamide trifluoroacetic acid salt for example; use in combination with other drugs SANOFI-AVENTIS (FR) 2012-03-20 US disclosed
US-8003668-B2 Use of 2-(amino-substituted piperidin-1-yl)benzimidazoles as antidiabetic agents, or to treat carbohydrate and lipid metabolic disorders; use in combination with other drugs; N-[2-(3-Aminopiperidin-1-yl)-1-(3-methylbut-2-enyl)-1H-benzimidazol-6-yl]-benzenesulfonamide or salts for example SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
CN-101820764-A Therapeutic isoxazole compounds HELICON THERAPEUTICS INC 2010-09-01 CN disclosed
US-20080090870-A1 AMINO-SUBSTITUTED 8-N-BENZIMIDAZOLES AND METHODS FOR THEIR USE IN BLOOD SUGAR DISORDERS SANOFI-AVENTIS (FR) 2008-04-17 US disclosed
US-20080090869-A1 AMINOCARBONYL-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHODS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-04-17 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-20080090869-A1 AMINOCARBONYL-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHODS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS GPR119, SLC5A1, SLC2A8 SLC6A1 1744/4885SLC6A11 1650/4885TSHR 2714/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 SLC6A1 1027/4885SLC6A11 749/4885TSHR 4543/4885
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, HDAC1, DOT1L SLC6A1 1195/4885SLC6A11 866/4885TSHR 4534/4885
US-20080090870-A1 AMINO-SUBSTITUTED 8-N-BENZIMIDAZOLES AND METHODS FOR THEIR USE IN BLOOD SUGAR DISORDERS GPR119, SLC5A1, SLC2A8 SLC6A1 660/4885SLC6A11 684/4885TSHR 1311/4885

“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.