SCHEMBL5514853

SCHEMBL5514853

COC(=O)[C@H](CC(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MME P08473 2/20 0.41
▸ CA14 Q9ULX7 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TAS1R3 Q7RTX0 4/20 0.39
▸ TAS1R1 Q7RTX1 4/20 0.39
▸ ADAM17 P78536 1/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.34

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
SCHEMBL9911582 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MMECA14CA12CA7
SCHEMBL12868880 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MMECA14CA12CA7
SCHEMBL16487289 0.90 MME (0.43) SMN1; SMN2MMECA14CA12CA7
SCHEMBL20444140 0.83 SMN1; SMN2 (0.39) SMN1; SMN2MMECA14CA12CA7
SCHEMBL15015675 0.82 MME (0.46) SMN1; SMN2MMETAS1R3TAS1R1FOLH1
SCHEMBL6947237 0.82 MME (0.39) SMN1; SMN2MMECA14TAS1R3TAS1R1
SCHEMBL17852291 0.81 SLC1A3 (0.35) SMN1; SMN2MMEADAM17SLC1A3SLC1A2
SCHEMBL18560732 0.81 SLC1A3 (0.35) MMECA12CA9ADAM17SLC1A3
SCHEMBL16799549 0.81 SLC1A3 (0.35) SMN1; SMN2MMEADAM17SLC1A3SLC1A2
SCHEMBL14316099 0.80 BIRC2 (0.41) SMN1; SMN2MMETAS1R3TAS1R1BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 — — US disclosed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 — — US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 — — EP disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 — — 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-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 — — US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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 (7 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885MME 1933/4885CA14 4026/4885
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 SMN1; SMN2 3935/4885MME 2556/4885CA14 4093/4885
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT SMN1; SMN2 4353/4885MME 1509/4885CA14 1098/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885MME 1933/4885CA14 4026/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885MME 1933/4885CA14 4026/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885MME 1933/4885CA14 4026/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 SMN1; SMN2 891/4885MME 1820/4885CA14 4595/4885

“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.

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