SCHEMBL5451297

SCHEMBL5451297

COc1cccc(S(=O)(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
HTR6 P50406 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
PTPN11 Q06124 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL5454971 0.89 KDM4E (0.67) HRH3MAPTKDM4EGAALMNA
SCHEMBL5458846 0.86 HRH3 (0.74) HRH3HTR6KDM4EGAADRD3
SCHEMBL5458302 0.85 PKM (0.58) HRH3MAPTKDM4EGAALMNA
SCHEMBL5468173 0.85 HRH3 (0.59) HRH3HTR6LMNAMAPK1DRD3
SCHEMBL5459752 0.83 HRH3 (0.62) HRH3HTR6KDM4EGAALMNA
SCHEMBL5453457 0.83 HRH3 (0.59) HRH3HTR6KDM4ELMNATSHR
SCHEMBL5472482 0.83 HTT (0.59) HRH3HTR6MAPTKDM4EGAA
SCHEMBL5472280 0.82 HRH3 (0.59) HRH3HTR6KDM4EGAAMAPK1
SCHEMBL5462288 0.82 HRH3 (0.59) HRH3HTR6KDM4EGAAMAPK1
SCHEMBL5458190 0.81 HRH3 (0.55) HRH3HTR6KDM4EMAPK1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885HTR6 373/4885MAPT 1504/4885

“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.