SCHEMBL3029888

SCHEMBL3029888

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(Cl)c1Cl

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.90
CYP2C9 P11712 3/20 0.90
ABCB11 O95342 3/20 0.90
TSHR P16473 3/20 0.90
TBXA2R P21731 3/20 0.90
ADRA1A P35348 3/20 0.90
SLC6A3 Q01959 3/20 0.90
ALDH1A1 P00352 3/20 0.90
ADORA3 P0DMS8 3/20 0.90
MEN1 O00255 2/20 0.90
CYP1A2 P05177 2/20 0.90
CYP3A4 P08684 2/20 0.90
CYP2C19 P33261 2/20 0.90
KMT2A Q03164 2/20 0.90
HIF1A Q16665 2/20 0.90
HSD17B10 Q99714 2/20 0.90
GAA P10253 2/20 0.90
LMNA P02545 2/20 0.90
ABCB1 P08183 2/20 0.90
ADRB3 P13945 2/20 0.90

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
SCHEMBL29756037 1.00 KDM4E (0.90) KDM4ECYP2C9ABCB11TSHRTBXA2R
Felodipine SCHEMBL13460298 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
(R)-Felodipine SCHEMBL29617765 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
(S)-Felodipine SCHEMBL26399 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
Felodipine SCHEMBL920025 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
Felodipine SCHEMBL26398 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
SCHEMBL7265394 0.95 CYP2C9 (0.82) KDM4ECYP2C9ABCB11TSHRTBXA2R
(R)-Felodipine SCHEMBL54486 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
(S)-Felodipine SCHEMBL29908048 0.95 CYP2C9 (1.00) KDM4ECYP2C9ABCB11TSHRTBXA2R
Felodipine SCHEMBL29049073 0.94 CYP2C9 (0.98) KDM4ECYP2C9ABCB11TSHRTBXA2R

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
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 CN claimed
CN-114712319-B Felodipine and propranolol hydrochloride compound preparation and preparation method thereof 北京诺康达医药科技股份有限公司 2024-01-09 CN disclosed
CN-114712319-A Felodipine propranolol hydrochloride compound preparation and preparation method thereof 北京诺康达医药科技股份有限公司 2022-07-08 CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 CN disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 KDM4E 4629/4885CYP2C9 4840/4885ABCB11 2253/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885ABCB11 1711/4885

“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.