SCHEMBL765893

SCHEMBL765893

CC(C)C(CC(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
MAPT P10636 1/20 0.39
GABRR1 P24046 2/20 0.38
PRKCA P17252 1/20 0.38
LMNA P02545 1/20 0.38
FFAR3 O14843 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL28704878 0.97 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5512925 0.82 SLC22A6 (0.36) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL26138066 0.82 SMN1; SMN2 (0.44) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL832785 0.79 SLC22A6 (0.50) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL17124705 0.78 TSHR (0.40) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL31021336 0.78 TDP1 (0.48) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL9843885 0.78 PRKCA (0.34) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL28599334 0.76 SLC22A6 (0.36) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL8880751 0.75
SCHEMBL13103814 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
CN-115477593-A Synthetic method of cooling agent N,2, 3-trimethyl-2-isopropyl butanamide 广州百花香料股份有限公司 2022-12-16 CN disclosed
CN-103228618-B New compound and medicinal use thereof ONO PHARMACEUTICAL CO.,LTD. (JP) 2016-02-17 CN disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
EP-2647619-B1 NOVEL COMPOUND AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2015-01-21 EP disclosed
US-20140187630-A1 NOVEL COMPOUND AND MEDICAL USE THEREOF ONO PHARMACEUTICALS CO., LTD. (JP) 2014-07-03 US disclosed
US-8748485-B2 Compound and medical use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2014-06-10 US disclosed
US-8703816-B2 2014-04-22 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP 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-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-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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
US-20070106064-A1 Solid phase method for synthesis peptide-spacer-lipid conjugates, conjugates synthesized thereby and targeted liposomes containing the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY 2007-05-10 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 SLC22A6 2722/4885TDP1 610/4885SMN1; SMN2 4707/4885
US-20070106064-A1 Solid phase method for synthesis peptide-spacer-lipid conjugates, conjugates synthesized thereby and targeted liposomes containing the same DLST, LNPEP, LSS SLC22A6 1470/4885TDP1 4823/4885SMN1; SMN2 4371/4885
US-20140187630-A1 NOVEL COMPOUND AND MEDICAL USE THEREOF COMT, PARK7, SLC6A3 SLC22A6 200/4885TDP1 571/4885SMN1; SMN2 98/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC22A6 2722/4885TDP1 610/4885SMN1; SMN2 4707/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS SLC22A6 2846/4885TDP1 69/4885SMN1; SMN2 2633/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 SLC22A6 1327/4885TDP1 1315/4885SMN1; SMN2 3874/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC22A6 2722/4885TDP1 610/4885SMN1; SMN2 4707/4885

“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.