SCHEMBL5465985

SCHEMBL5465985

O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALOX15 P16050 3/20 0.56
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL5464353 0.85 MAPT (0.59) MEN1KMT2AMAPTHRH3
SCHEMBL2953452 0.85 ALDH1A1 (0.77) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL5457457 0.84 ROCK2 (0.50) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5464035 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL5464323 0.82 HRH3 (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL5461526 0.82 HRH3 (0.55) ALDH1A1MAPTHRH3
SCHEMBL5451040 0.81 HRH3 (0.49) MEN1KMT2AMAPTSMN1; SMN2HRH3
SCHEMBL5463884 0.80 HRH3 (0.55) MAPTHRH3
SCHEMBL5458837 0.79 KMT2A (0.53) ALDH1A1MEN1KMT2AALOX15MAPT
SCHEMBL5458846 0.79 HRH3 (0.74) ALDH1A1GAAMEN1KMT2AL3MBTL1

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 ALDH1A1 1805/4885GAA 1910/4885MEN1 4497/4885

“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.