SCHEMBL194784

SCHEMBL194784

CC1=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC2CCCCO2)=C(C)N1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.51
CACNA1D Q01668 8/20 0.51
CACNA1S Q13698 8/20 0.51
CACNA1C Q13936 8/20 0.51
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL29426315 1.00 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL6955134 0.82 POLB (0.68) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7416441 0.79 POLB (0.64) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7132512 0.79 POLB (0.75) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7341750 0.76 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10670264 0.75 KMT2A (0.76) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10666490 0.75 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7274108 0.74 CACNA1F (0.75) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10918103 0.73 MAPT (0.70) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL9675181 0.73 MEN1 (0.70) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP disclosed
CN-102333777-B Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2014-06-25 CN disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine AMPLA PHARMACEUTICALS INC. (US) 2008-06-12 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 (6 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A CACNA1F 558/4885CACNA1D 397/4885CACNA1S 370/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 CACNA1F 1074/4885CACNA1D 844/4885CACNA1S 364/4885
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine ADRB3, FFAR3, SLC6A4 CACNA1F 145/4885CACNA1D 150/4885CACNA1S 139/4885
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF CACNA1F 2915/4885CACNA1D 2911/4885CACNA1S 2627/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 CACNA1F 1801/4885CACNA1D 831/4885CACNA1S 1003/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CACNA1F 790/4885CACNA1D 738/4885CACNA1S 332/4885

“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.