SCHEMBL5451236

SCHEMBL5451236

O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 5/20 0.48
DRD3 P35462 3/20 0.47
DRD2 P14416 1/20 0.47
HTR6 P50406 1/20 0.47
MAPK1 P28482 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5466147 0.83 HRH3 (0.46) CYP2D6HRH3DRD3DRD2HTR6
SCHEMBL5454888 0.82 MEN1 (0.55) HRH3DRD3DRD2HTR6MAPK1
SCHEMBL5458772 0.82 ALDH1A1 (0.65) HRH3DRD3DRD2HTR6MAPK1
SCHEMBL5468341 0.82 TMEM97 (0.63) HRH3DRD3DRD2HTR6MAPK1
SCHEMBL5454912 0.81 HRH3 (0.47) L3MBTL1CYP2D6CYP2C9HRH3DRD3
SCHEMBL5454943 0.81 MAPT (0.59) L3MBTL1HRH3DRD3DRD2HTR6
SCHEMBL5458190 0.81 HRH3 (0.55) HRH3DRD3DRD2HTR6MAPK1
SCHEMBL5461526 0.81 HRH3 (0.55) HRH3DRD3DRD2HTR6TMEM97
SCHEMBL5455761 0.80 HRH3 (0.54) CYP2D6HRH3DRD3DRD2HTR6
SCHEMBL5463839 0.80 HRH3 (0.60) CYP2D6HRH3DRD3DRD2HTR6

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 3089/4885CYP2D6 425/4885CYP1A2 83/4885

“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.