SCHEMBL5457058

SCHEMBL5457058

c1csc(-c2ccc3c(c2)CCN(C2CCC2)CC3)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.51
CYP2D6 P10635 4/20 0.44
HRH1 P35367 1/20 0.40

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
SCHEMBL27410695 0.80 PDPK1 (0.47)
SCHEMBL1019783 0.80 GHSR (0.43) HRH3
SCHEMBL1788202 0.77 KCNB1 (0.43) HRH3CYP2D6
SCHEMBL5459934 0.77 HRH3 (0.53) HRH3CYP2D6
SCHEMBL12748410 0.75 HRH3 (0.39) HRH3CYP2D6
SCHEMBL5464287 0.74 HRH3 (0.50) HRH3CYP2D6
SCHEMBL1790533 0.70 ROCK2 (0.48) HRH3HRH1
SCHEMBL3241945 0.70 PDPK1 (0.42)
SCHEMBL5453321 0.69 HRH3 (0.48) HRH3CYP2D6
SCHEMBL2115820 0.69 GPR119 (0.57) HRH3

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 38/4885CYP2D6 425/4885HRH1 101/4885

“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.