SCHEMBL5454971

SCHEMBL5454971

COc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 5/20 0.61
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
THRB P10828 1/20 0.60
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
PKM P14618 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
HSD11B1 P28845 1/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.51
PKLR P30613 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL5451297 0.89 HRH3 (0.56) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL5472280 0.89 HRH3 (0.59) KDM4EGAAALDH1A1SMN1; SMN2HRH3
SCHEMBL5462288 0.89 HRH3 (0.59) KDM4EGAAALDH1A1CYP2D6HRH3
SCHEMBL5459752 0.88 HRH3 (0.62) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL5458302 0.88 PKM (0.58) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL5468182 0.87 HRH3 (0.53) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL5458772 0.86 ALDH1A1 (0.65) KDM4EGAAALDH1A1HRH3MEN1
SCHEMBL5458846 0.86 HRH3 (0.74) KDM4EGAAALDH1A1HRH3MEN1
SCHEMBL5464285 0.86 HRH3 (0.56) KDM4EGAAALDH1A1LMNAHRH3
SCHEMBL5468208 0.86 HRH3 (0.56) KDM4EGAAALDH1A1HRH3MEN1

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 KDM4E 1975/4885GAA 1910/4885ALDH1A1 1805/4885

“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.