SCHEMBL5459684

SCHEMBL5459684

O=C(O)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
MLNR O43193 1/20 0.48
KDM2B Q8NHM5 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 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
SCHEMBL4772402 0.88 HRH3 (0.66) HRH3MLNRKDM2BCYP2D6NPC1
SCHEMBL4768190 0.87 NPC1 (0.67) HRH3KMT2ACYP2D6NPC1RAB9A
SCHEMBL4768153 0.86 LMNA (0.56) HRH3KDM2BKMT2ANPC1RAB9A
SCHEMBL4771050 0.85 CYP3A4 (0.56) HRH3KMT2ACYP2D6NPC1RAB9A
SCHEMBL4765355 0.84 ALDH1A1 (0.54) HRH3KDM2BKMT2ANPC1RAB9A
SCHEMBL4767666 0.84 CYP3A4 (0.58) HRH3KMT2ACYP2D6NPC1RAB9A
SCHEMBL4765905 0.84 NPC1 (0.69) HRH3KMT2ANPC1RAB9AMEN1
SCHEMBL4767933 0.83 RAB9A (0.52) HRH3KMT2ACYP2D6NPC1RAB9A
SCHEMBL4774168 0.83 HRH3 (0.53) HRH3MLNRKMT2ACYP2D6NPC1
SCHEMBL4765613 0.82 EPHX2 (0.53) KMT2ACYP2D6NPC1RAB9AMEN1

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 3 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 disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO 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 38/4885MLNR 2747/4885KDM2B 409/4885

“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.