SCHEMBL5458308

SCHEMBL5458308

CNC(=O)Cc1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.52
HRH1 P35367 1/20 0.46
CYP2D6 P10635 4/20 0.43
MLNR O43193 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
MCHR1 Q99705 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
SCHEMBL1789591 0.91 HRH3 (0.56) HRH3HRH1CYP2D6MLNRKDM2B
SCHEMBL5459050 0.87 HRH3 (0.47) HRH3HRH1CYP2D6MLNRKDM2B
SCHEMBL5457102 0.82 HRH3 (0.73) HRH3HRH1CYP2D6KDM2B
SCHEMBL5670668 0.80 HDAC4 (0.39) HRH3CYP2D6
SCHEMBL5458210 0.77 HRH3 (0.63) HRH3HRH1CYP2D6
Potassium Ion SCHEMBL1787639 0.77 HRH3 (0.49) HRH3CYP2D6MLNRKDM2B
SCHEMBL12608382 0.77 HRH3 (0.51) HRH3HRH1CYP2D6MLNRKDM2B
SCHEMBL5660240 0.77 HRH3 (0.72) HRH3HRH1CYP2D6MLNRKDM2B
SCHEMBL1786584 0.76 HPGD (0.46) HRH3CYP2D6MLNR
SCHEMBL5465499 0.76 ESR2 (0.49)

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 4 patents. 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
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
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 HRH3 38/4885HRH1 101/4885CYP2D6 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.