SCHEMBL731706

SCHEMBL731706

CC1CN(C(C)(C)C)CCN1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.34
CCR2 P41597 4/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL12053823 1.00 BIRC2 (0.34) BIRC2CCR2KDM4ECYP3A4CYP2D6
SCHEMBL12053826 1.00 BIRC2 (0.34) BIRC2CCR2KDM4ECYP3A4CYP2D6
Hydrochloric Acid SCHEMBL31094861 0.98 CCR2 (0.33) BIRC2CCR2KDM4ECYP3A4CYP2D6
SCHEMBL12368090 0.86 BIRC2 (0.33) BIRC2
SCHEMBL18369742 0.79
SCHEMBL26604181 0.79 ATM (0.31) CCR2
SCHEMBL28274260 0.79 ATM (0.31) CCR2
SCHEMBL26746500 0.79 BIRC2 (0.34) BIRC2KDM4ECYP3A4CYP2D6NFKB1
SCHEMBL24429551 0.77 CCR2 (0.30) CCR2
SCHEMBL20618282 0.77 CCR2 (0.33) CCR2

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
CN-112513036-B Fused bicyclic compounds useful as ubiquitin-specific peptidase 30 inhibitors 福马治疗有限公司 2024-05-24 CN disclosed
CN-117881678-A Compound with SHP2 protein degradation activity and medical application thereof 尤比克斯治疗公司 2024-04-12 CN disclosed
CN-117794933-A Phenol derivatives for modulating BRM 基因泰克公司 2024-03-29 CN disclosed
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed
CN-117645614-A Substituted heterocyclo-cyclic compounds, preparation and pharmaceutical use thereof 劲方医药科技(上海)有限公司 2024-03-05 CN disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
CN-116854680-A Isoxazole-heterocycle derivatives, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-10-10 CN disclosed
CN-116670136-A Tetracyclic compound and medical application thereof 正大天晴药业集团股份有限公司 2023-08-29 CN disclosed
CN-116535412-A Polycyclic compounds as SOS1 inhibitors 昆药集团股份有限公司 2023-08-04 CN disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-7902365-B2 Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-03-20 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 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-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP BIRC2 3759/4885CCR2 1314/4885KDM4E 1388/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 BIRC2 1288/4885CCR2 2597/4885KDM4E 990/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF BIRC2 2471/4885CCR2 2885/4885KDM4E 4039/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 BIRC2 4032/4885CCR2 3981/4885KDM4E 3212/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 BIRC2 543/4885CCR2 3773/4885KDM4E 151/4885
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 BIRC2 1941/4885CCR2 930/4885KDM4E 573/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 BIRC2 1288/4885CCR2 2597/4885KDM4E 990/4885
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 BIRC2 1941/4885CCR2 930/4885KDM4E 573/4885

“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.