SCHEMBL2314441

SCHEMBL2314441

CC(O)(CO)COc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
ACACB O00763 5/20 0.49
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
MCHR1 Q99705 6/20 0.44
CHRM4 P08173 2/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
FFAR1 O14842 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL22527429 1.00 KCNH2 (0.54) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL2311795 1.00 KCNH2 (0.54) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL19809288 0.89 KCNH2 (0.47) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL2357937 0.89 KCNH2 (0.47) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL19929308 0.89 ACACB (0.48) KCNH2ACACBFFAR1
SCHEMBL2364442 0.85 KCNH2 (0.49) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL2364439 0.85 KCNH2 (0.49) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL22527554 0.80 KCNH2 (0.54) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL22527383 0.80 KCNH2 (0.56) KCNH2ACACBPTGS1SLC6A2SLC6A4
SCHEMBL22527428 0.80 KCNH2 (0.57) KCNH2ACACBPTGS1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874341-B Process for preparing derivatives of 1, 1-dialkylethane-1, 2-diols useful as intermediates 科学与工业研究委员会 2024-05-31 CN disclosed
CN-113874341-A Process for preparing derivatives of 1, 1-dialkylethane-1, 2-diols as useful intermediates 科学与工业研究委员会 2021-12-31 CN disclosed
CN-107406386-B Process for producing 1- (4-hydroxyphenyl) -4- (4-trifluoromethoxyphenoxy) piperidine or salt thereof 大塚制药株式会社 2021-06-01 CN disclosed
WO-2020202205-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1,1-DIALKYLETHANE-1,2-DIOLS AS USEFUL INTERMEDIATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-08 WO disclosed
EP-3275862-B1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF OTSUKA PHARMA CO LTD (JP) 2020-08-12 EP disclosed
EP-3275862-B1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF OTSUKA PHARMA CO LTD (JP) 2020-08-12 EP disclosed
US-10252995-B2 Method for producing 1-(4-hydroxyphenyl)-4-(4-trifluoromethoxyphenoxy)piperidine or salt thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-09 US disclosed
EP-3275862-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2018-01-31 EP disclosed
EP-2528896-B1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMA CO LTD (JP) 2014-08-27 EP disclosed
US-8598358-B2 Synthetic intermediate of oxazole compound and method for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2528896-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-29 US disclosed
WO-2011093529-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO 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 (2 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-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME GLP1R, HBB, OXA1L KCNH2 2417/4885ACACB 1750/4885PTGS1 3299/4885
US-10252995-B2 Method for producing 1-(4-hydroxyphenyl)-4-(4-trifluoromethoxyphenoxy)piperidine or salt thereof DHPS, PAH, HPD KCNH2 174/4885ACACB 3559/4885PTGS1 322/4885

“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.