SCHEMBL5450187

SCHEMBL5450187

O=C(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRA1A P35348 6/20 0.44
MOGAT2 Q3SYC2 1/20 0.42
SFRP1 Q8N474 1/20 0.42

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
SCHEMBL5458191 0.86 HRH3 (0.58) HRH3L3MBTL3L3MBTL1ADRA1A
SCHEMBL5465779 0.83 HRH3 (0.58) HRH3L3MBTL3L3MBTL1ADRA1A
SCHEMBL5470100 0.82 L3MBTL1 (0.58) HRH3L3MBTL3L3MBTL1
SCHEMBL5455836 0.82 HRH3 (0.45) HRH3
SCHEMBL5459682 0.81 HRH3 (0.52) HRH3L3MBTL3L3MBTL1
SCHEMBL14441056 0.80 HRH3 (0.58) HRH3L3MBTL3L3MBTL1
SCHEMBL5465815 0.80 HPGD (0.52) HRH3L3MBTL3L3MBTL1
SCHEMBL5672950 0.80 L3MBTL3 (0.57) HRH3L3MBTL3L3MBTL1
SCHEMBL5459089 0.80 HRH3 (0.42) HRH3
SCHEMBL5464883 0.79 HRH3 (0.51) HRH3L3MBTL3L3MBTL1

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 38/4885L3MBTL3 3107/4885L3MBTL1 3089/4885

“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.