SCHEMBL14440468

SCHEMBL14440468

Nc1ccc(OC[C@H]2CN(c3ccc4c(c3)CCN(C3CCC3)CC4)C(=O)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.47
HRH3 Q9Y5N1 11/20 0.47
CYP2D6 P10635 3/20 0.47
HRH1 P35367 1/20 0.46

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
SCHEMBL5456739 0.91 GRM2 (0.51) GRM2HRH3CYP2D6HRH1
SCHEMBL5455754 0.82 HRH3 (0.45) HRH3CYP2D6HRH1
SCHEMBL5452213 0.82 MAOA (0.50) HRH3CYP2D6HRH1
SCHEMBL8115184 0.74 GRM2 (0.80) GRM2
SCHEMBL8114677 0.73 GRM2 (0.85) GRM2
SCHEMBL2822970 0.72 GRM2 (0.70) GRM2
SCHEMBL2826289 0.72 GRM2 (0.70) GRM2
SCHEMBL8114539 0.71 GRM2 (0.64) GRM2
Hydrochloric Acid SCHEMBL8115132 0.70 GRM2 (0.62) GRM2
SCHEMBL9447636 0.70 F10 (0.53) GRM2

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 disclosed

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 GRM2 66/4885HRH3 38/4885CYP2D6 425/4885

“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.