SCHEMBL2168557

SCHEMBL2168557

Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C19 P33261 1/20 1.00
KDM4E B2RXH2 4/20 0.98
POLB P06746 1/20 0.98
HTR2A P28223 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HTR2C P28335 5/20 0.44
MEN1 O00255 2/20 0.44
HTR1A P08908 2/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR7 P34969 4/20 0.43
HTR6 P50406 3/20 0.43

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
SCHEMBL30433668 1.00 KCNH2 (1.00) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL29651421 0.99 KCNH2 (1.00) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444378 0.99 KCNH2 (1.00) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6375711 0.98 KCNH2 (0.96) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444488 0.94 KCNH2 (0.89) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444403 0.90 KCNH2 (0.82) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444358 0.89 KCNH2 (0.80) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444258 0.88 KCNH2 (0.78) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL9444520 0.85 KCNH2 (0.74) KCNH2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9444466 0.84 KCNH2 (0.75) KCNH2CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-13 US claimed
US-8399018-B2 Controlled release ion channel modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-03-19 US claimed
EP-0235752-B1 Piperidine derivative, pharmaceutical composition containing the same and use EISAI CO LTD (JP) 1993-11-18 EP claimed
US-4876262-A ANTIARRHYTHMIA AGENTS EISAI CO., LTD. (JP) 1989-10-24 US claimed
EP-0235752-A2 Piperidine derivative, pharmaceutical composition containing the same and use Eisai Co., Ltd. (JP) 1987-09-09 EP claimed
EP-3638673-B9 TETRAHYDROPYRIDOPYRAZINE MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2024-11-20 EP disclosed
US-20240366627-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-11-07 US disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
EP-3512938-B1 RECOMBINANT CARDIOMYOCYTES AND CARDIOMYOCYTE CELL LINES EXPRESSING HERG UNIV ALBERTA (CA) 2024-08-28 EP disclosed
EP-3638673-B1 TETRAHYDROPYRIDOPYRAZINE MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-11963964-B2 Small molecules for mouse satellite cell proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-23 US disclosed
US-5877196-A N- 4-(imidazolyl or pyrazolyl)phenyl(oxy, sulfinyl, sulfenyl or sulfonyl)alkyl!carboxamides, sulfonamides or phosphoramides having antiarrhythmic properties AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP disclosed
EP-0235752-B1 Piperidine derivative, pharmaceutical composition containing the same and use EISAI CO LTD (JP) 1993-11-18 EP disclosed
US-5179095-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1993-01-12 US disclosed
US-5118689-A Antiarrhythmia agents EISAI CO., LTD. (JP) 1992-06-02 US disclosed
US-4996215-A Antiarrythmia agents EISAI CO., LTD. (JP) 1991-02-26 US disclosed
US-4876262-A ANTIARRHYTHMIA AGENTS EISAI CO., LTD. (JP) 1989-10-24 US disclosed
EP-0235752-A2 Piperidine derivative, pharmaceutical composition containing the same and use Eisai Co., Ltd. (JP) 1987-09-09 EP 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 (5 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-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders TRPV1, ATP2A1, TRPM2 KCNH2 56/4885CYP3A4 4499/4885CYP2D6 4439/4885
US-20240366627-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 KCNH2 4204/4885CYP3A4 4880/4885CYP2D6 4878/4885
US-11963964-B2 Small molecules for mouse satellite cell proliferation MKI67, MYLK2, MYH2 KCNH2 4204/4885CYP3A4 4880/4885CYP2D6 4878/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 KCNH2 2334/4885CYP3A4 4486/4885CYP2D6 4391/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 KCNH2 2334/4885CYP3A4 4486/4885CYP2D6 4391/4885

“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.