SCHEMBL91544

SCHEMBL91544

CCOCC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
CYP2D6 P10635 1/20 0.37
HTR3A P46098 2/20 0.37
KCNH2 Q12809 2/20 0.37
GNAO1 P09471 2/20 0.36
GNAI3 P08754 1/20 0.36
GNAI1 P63096 1/20 0.36
EP300 Q09472 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
KDM1A O60341 2/20 0.33
GBA1 P04062 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL24428723 0.86
SCHEMBL20028043 0.86
SCHEMBL2632037 0.86
Hydrochloric Acid SCHEMBL27035712 0.82 TDP1 (0.47) TDP1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL16394631 0.82 TDP1 (0.42) TDP1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL131689 0.82
SCHEMBL12695097 0.82 CYP2D6 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14486633 0.82 CYP2D6 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14395367 0.80 SMN1; SMN2 (0.48) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL796426 0.80 TDP1 (0.46) TDP1SLC6A2SLC6A4SLC6A3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081361-B Hierarchical porous EU-1 molecular sieve and preparation method thereof 中触媒新材料股份有限公司 2020-02-14 CN claimed
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN claimed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN claimed
US-20240391882-A1 Substituted Quinoxalines Mirati Therapeutics, Inc. 2024-11-28 US disclosed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
US-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders ACCUTAR BIOTECHNOLOGY INC. (US) 2022-12-20 US disclosed
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2022-08-16 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2020-07-23 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 WO disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 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 (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-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders BTK, LYN, SYK TDP1 220/4885SLC6A2 4798/4885SLC6A4 4778/4885
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 2972/4885SLC6A2 3564/4885SLC6A4 2511/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 TDP1 1079/4885SLC6A2 158/4885SLC6A4 74/4885
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 TDP1 1079/4885SLC6A2 158/4885SLC6A4 74/4885
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 TDP1 1079/4885SLC6A2 158/4885SLC6A4 74/4885
US-20240391882-A1 Substituted Quinoxalines NQO2, NQO1, NDUFV3 TDP1 1458/4885SLC6A2 310/4885SLC6A4 318/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 TDP1 808/4885SLC6A2 4727/4885SLC6A4 4493/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 TDP1 4867/4885SLC6A2 1942/4885SLC6A4 1142/4885

“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.