SCHEMBL4510117

SCHEMBL4510117

COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CCN(C)CC2OC(=O)/C=C\C(=O)OC1CN(C)CCc2cc(S(=O)(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL5392496 0.85 MMP1 (0.41) GRIN2CMMP1MMP2MMP7MMP9
Sb-773812 SCHEMBL4510111 0.84 REV1 (0.45) GRIN2CMMP1MMP9DRD2HTR2A
Sb-773812 SCHEMBL5471358 0.84 REV1 (0.45) GRIN2CMMP1MMP9DRD2HTR2A
Sb-773812 SCHEMBL4510120 0.84 REV1 (0.45) GRIN2CMMP1MMP9DRD2HTR2A
Sb-773812 SCHEMBL29377490 0.83 DRD2 (0.50) MAOBDRD2HTR2AHTR2CDRD3
SCHEMBL4889865 0.83 DRD2 (0.50) MAOBDRD2HTR2AHTR2CDRD3
Sb-773812 SCHEMBL3896727 0.83 DRD2 (0.50) MAOBDRD2HTR2AHTR2CDRD3
Sb-773812 SCHEMBL3893974 0.82 DRD2 (0.49) MAOBDRD2HTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL3897702 0.82 DRD2 (0.49) MAOBDRD2HTR2AHTR2CDRD3
Sb-773812 SCHEMBL5456117 0.79 MMP1 (0.45) MMP1MMP9DRD2HTR2AHTR2C

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163475-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2009-06-25 US claimed
EP-1885699-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2008-02-13 EP claimed
US-20070275948-A1 7-[4-(4-Chlorobenzyloxy)Benzenesulfonyl]-8-Methoxy-3-Methyl-2,3,4,5-Tetrahydro-1h-3-Benzazepinium Maleate Or Tosylate As antipyschotics GLAXO GROUP LIMITED (GB) 2007-11-29 US claimed
WO-2006125622-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2006-11-30 WO claimed
US-20090163475-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2009-06-25 US disclosed
US-20090163475-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2009-06-25 US disclosed
CN-101184735-A Crystalline form of benzazepinium maleate derivative GLAXO GROUP LTD (GB) 2008-05-21 CN disclosed
EP-1885699-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
EP-1885699-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
US-20070275948-A1 7-[4-(4-Chlorobenzyloxy)Benzenesulfonyl]-8-Methoxy-3-Methyl-2,3,4,5-Tetrahydro-1h-3-Benzazepinium Maleate Or Tosylate As antipyschotics GLAXO GROUP LIMITED (GB) 2007-11-29 US disclosed
US-20070275948-A1 7-[4-(4-Chlorobenzyloxy)Benzenesulfonyl]-8-Methoxy-3-Methyl-2,3,4,5-Tetrahydro-1h-3-Benzazepinium Maleate Or Tosylate As antipyschotics GLAXO GROUP LIMITED (GB) 2007-11-29 US disclosed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
WO-2006125622-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2006-11-30 WO disclosed
WO-2006125622-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE GLAXO GROUP LIMITED (GB) 2006-11-30 WO disclosed
EP-1687005-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
EP-1687279-A1 7- [4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
WO-2005051916-A1 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed
WO-2005051398-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 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 (3 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-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents HTR4, DRD4, SLC6A3 GRIN2C 73/4885MMP1 4621/4885MMP2 4062/4885
US-20090163475-A1 CRYSTALLINE FORM OF BENZAZEPINIUM MALEATE DERIVATIVE CYP3A5, GABRA5, SLC6A13 GRIN2C 84/4885MMP1 4216/4885MMP2 3713/4885
US-20070275948-A1 7-[4-(4-Chlorobenzyloxy)Benzenesulfonyl]-8-Methoxy-3-Methyl-2,3,4,5-Tetrahydro-1h-3-Benzazepinium Maleate Or Tosylate As antipyschotics TPMT, HTR4, HTR7 GRIN2C 115/4885MMP1 3909/4885MMP2 2560/4885

“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.