SCHEMBL12868073

SCHEMBL12868073

CCOC(=O)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL838555 0.86 CA12 (0.49) KMT2AGAACA2CA9CA12
SCHEMBL20304522 0.82 KMT2A (0.43) KMT2AGAALMNAKDM4ENPC1
SCHEMBL5527988 0.81 MAPK1 (0.61) KMT2ACA2CA9CA12CA1
SCHEMBL12091492 0.81 KMT2A (0.56) KMT2AGAALMNANPC1RAB9A
SCHEMBL20135375 0.80 MAPT (0.41) KMT2AGAACA2CA9CA12
SCHEMBL29800427 0.80 CA12 (0.56) KMT2ACA2CA9CA12CA1
SCHEMBL811649 0.80 CA12 (0.56) KMT2ACA2CA9CA12CA1
SCHEMBL659139 0.80 CA12 (0.56) KMT2ACA2CA9CA12CA1
SCHEMBL3564942 0.78 CYP2C9 (0.47) KMT2ACA2CA9CA12CA1
SCHEMBL1474603 0.78 MAPT (0.42) KMT2ALMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409900-B2 Compound for increasing kinase active and application thereof FUJIAN HAIXI PHARMACEUTICALS, INC. (CN) 2016-08-09 US disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-20130225587-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF ZHEJIANG BETA PHARMA INCORPORATION (CN) 2013-08-29 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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-20130225587-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF MAP3K7, MAP3K1, MAP3K6 KMT2A 1382/4885GAA 293/4885CA2 2397/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KMT2A 2236/4885GAA 1018/4885CA2 3976/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 KMT2A 4272/4885GAA 1747/4885CA2 4620/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 KMT2A 3939/4885GAA 1478/4885CA2 4630/4885

“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.