SCHEMBL13900930

SCHEMBL13900930

COc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CN(Cl)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.50
PKM P14618 3/20 0.46
LMNA P02545 1/20 0.46
PDE4B Q07343 1/20 0.43
ABCB1 P08183 7/20 0.42
DHCR7 Q9UBM7 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
CHRNA7 P36544 2/20 0.40
ABCC1 P33527 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
SRD5A1 P18405 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4889865 0.90 DRD2 (0.50) REV1PKMLMNAPDE4BABCB1
Sb-773812 SCHEMBL3896727 0.90 DRD2 (0.50) REV1PKMLMNAPDE4BABCB1
Sb-773812 SCHEMBL29377490 0.90 DRD2 (0.50) REV1PKMLMNAPDE4BABCB1
Hydrochloric Acid SCHEMBL3897702 0.89 DRD2 (0.49) REV1PKMLMNAPDE4BABCB1
Sb-773812 SCHEMBL3893974 0.89 DRD2 (0.49) REV1PKMLMNAPDE4BABCB1
SCHEMBL3900360 0.84 ESR2 (0.47) REV1ABCB1ABCC1MAPTHPGD
Sb-773812 SCHEMBL4510111 0.84 REV1 (0.45) REV1PKMLMNAABCB1DHCR7
Sb-773812 SCHEMBL5456117 0.84 MMP1 (0.45) REV1PKMLMNAABCB1DHCR7
Sb-773812 SCHEMBL4510120 0.84 REV1 (0.45) REV1PKMLMNAABCB1DHCR7
Sb-773812 SCHEMBL5471358 0.84 REV1 (0.45) REV1PKMLMNAABCB1DHCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 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 (1 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-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia SIGMAR1, CBR3, CBR1 REV1 3854/4885PKM 3039/4885LMNA 3348/4885

“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.