SCHEMBL5454932

SCHEMBL5454932

O=C(c1cccc(Cl)c1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
PDE4B Q07343 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5472454 0.89 HRH3 (0.64) L3MBTL1ALDH1A1KDM4EL3MBTL3KMT2A
SCHEMBL5465885 0.88 KDM4E (0.60) L3MBTL1ALDH1A1KDM4EHTTL3MBTL3
SCHEMBL5464902 0.87 L3MBTL1 (0.53) L3MBTL1ALDH1A1KDM4EHTTL3MBTL3
SCHEMBL5459749 0.85 KDM2B (0.55) L3MBTL1ALDH1A1KDM4EL3MBTL3MEN1
SCHEMBL5459697 0.84 L3MBTL3 (0.57) L3MBTL1ALDH1A1KDM4EL3MBTL3HRH3
SCHEMBL5465825 0.84 LMNA (0.58) L3MBTL1ALDH1A1KDM4EHTTL3MBTL3
SCHEMBL5466155 0.84 PKM (0.55) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5464881 0.83 KDM4E (0.60) L3MBTL1ALDH1A1KDM4ESMN1; SMN2L3MBTL3
SCHEMBL5466062 0.83 HSD11B1 (0.50) L3MBTL1ALDH1A1KDM4EHTTL3MBTL3
SCHEMBL5468207 0.82 POLB (0.56) L3MBTL1ALDH1A1KDM4EL3MBTL3MEN1

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 L3MBTL1 3089/4885ALDH1A1 1805/4885KDM4E 1975/4885

“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.