SCHEMBL4243034

SCHEMBL4243034

CCN(CC1Cc2cc3c(cc21)OCO3)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.48
MTNR1A P48039 1/20 0.48
CYP3A4 P08684 3/20 0.41
HTR1A P08908 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
HPGD P15428 3/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL15422514 0.77 DRD3 (0.43) MTNR1BMTNR1ACYP3A4HTR1ASLC6A4
SCHEMBL3144482 0.69 HTR1A (0.50) CYP3A4HTR1AHPGDCYP2D6ALDH1A1
SCHEMBL9227252 0.66 HTR1A (0.59) MTNR1BMTNR1ACYP3A4HTR1AHPGD
SCHEMBL15422516 0.63 DRD5 (0.42) MTNR1BMTNR1ACYP3A4HTR1ASLC6A4
SCHEMBL15422715 0.63 HCRTR1 (0.46) MTNR1BHPGDKMT2AALDH1A1TSHR
SCHEMBL9311596 0.62 MTNR1A (0.42) MTNR1BMTNR1ACYP3A4HTR1AHPGD
SCHEMBL21538740 0.62 ADRA2A (0.45) MTNR1BMTNR1ACYP3A4HPGDNPC1
SCHEMBL8871528 0.62 HTR1A (0.54) MTNR1BMTNR1ACYP3A4HTR1AALDH1A1
SCHEMBL8980406 0.61 NPC1 (0.48) CYP3A4TRPM8HPGDSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8871647 0.61 HTR1A (0.66) MTNR1BMTNR1ACYP3A4HTR1AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 MTNR1B 65/4885MTNR1A 60/4885CYP3A4 28/4885

“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.