SCHEMBL4990281

SCHEMBL4990281

O[C@H](CCc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
AOC3 Q16853 1/20 0.47
CYP19A1 P11511 3/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ADRB2 P07550 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL30849680 0.91 CYP19A1 (0.45) HTR2AHTR2CHTR7AOC3CYP19A1
SCHEMBL30849687 0.90 KDM4E (0.51) HTR2ACYP19A1GRIN2BKDM4E
SCHEMBL5362414 0.90 KDM4E (0.51) HTR2ACYP19A1GRIN2BKDM4E
SCHEMBL8109000 0.87 CYP19A1 (0.54) HTR2AHTR2CHTR7AOC3CYP19A1
SCHEMBL10911201 0.81 CYP19A1 (0.54) HTR2AHTR2CHTR7CYP19A1MEN1
SCHEMBL2964767 0.81 ADRB2 (0.62) TAAR1ADRB2ALOX15TSHRNFKB1
SCHEMBL14327418 0.80 TAAR1 (0.50) AOC3TAAR1
SCHEMBL10397242 0.80 AOC3 (0.52) HTR2AHTR2CHTR7AOC3GMNN
SCHEMBL8898411 0.80 CA12 (0.43)
SCHEMBL11119802 0.79 AOC3 (0.47) AOC3TAAR1ADRB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846966-A Ezetimibe in combination with statins SCHERING CORPORATION (US) 1998-12-08 US claimed
US-20190169342-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2019-06-06 US disclosed
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US disclosed
EP-3130343-B1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2018-05-09 EP disclosed
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 EP disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
EP-3130343-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2017-02-15 EP disclosed
EP-2538947-B1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2016-08-17 EP disclosed
EP-2998329-A2 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2016-03-23 EP disclosed
EP-2539380-B1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2015-08-19 EP disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 US disclosed
US-20130189215-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-07-25 US disclosed
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-01-24 US disclosed
US-8258125-B2 pharmaceutical composition including therapeutically effective amounts of at least one HMG-CoA reductase inhibitor present as a dyhydroxyacid salt and at least one additional therapeutic agent TUNAC JOSEFINO B (US) 2012-09-04 US disclosed
US-20080248070-A1 HDL-Boosting Combination Therapy Complexes TUNAC JOSEFINO B 2008-10-09 US disclosed
US-7390504-B2 HDL-boosting combination therapy complexes JJ PHARMA, INC. (US) 2008-06-24 US disclosed
US-20050101561-A1 HDL-boosting combination therapy complexes JJ PHARMA, INC. 2005-05-12 US disclosed
US-5846966-A Ezetimibe in combination with statins SCHERING CORPORATION (US) 1998-12-08 US disclosed
US-5767115-A ADMINISTERING TO PREVENT ATHERSCLEROSIS OR REDUCING PLASMA CHOLESTEROL LEVELS TO THE MAMMALS; INCLUDES EZETIMIBE SCHERING-PLOUGH CORPORATION (US) 1998-06-16 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-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 HTR2A 1133/4885HTR2C 1549/4885HTR7 546/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 HTR2A 1133/4885HTR2C 1549/4885HTR7 546/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 HTR2A 2175/4885HTR2C 2677/4885HTR7 1449/4885
US-20050101561-A1 HDL-boosting combination therapy complexes APOB, LDLR, HDLBP HTR2A 3401/4885HTR2C 3808/4885HTR7 2800/4885
US-20130189215-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, ITCH HTR2A 2349/4885HTR2C 2010/4885HTR7 1068/4885
US-20190169342-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, ITCH HTR2A 2349/4885HTR2C 2010/4885HTR7 1068/4885
US-20080248070-A1 HDL-Boosting Combination Therapy Complexes LDLR, HMGCR, APOB HTR2A 2893/4885HTR2C 3143/4885HTR7 2073/4885
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 HTR2A 2175/4885HTR2C 2677/4885HTR7 1449/4885

“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.