SCHEMBL3144482

SCHEMBL3144482

NCC1Cc2cc3c(cc21)OCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA1A P35348 2/20 0.41
DRD1 P21728 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 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
SCHEMBL9311203 0.81 HTR1A (0.50) HTR1ACYP3A4ADRA1ADRD1DRD2
SCHEMBL8871066 0.71 HTR1A (0.64) HTR1ACYP3A4ADRA1ADRD1DRD2
SCHEMBL8276782 0.71 ADRA2A (0.67) ADRA1AHTR2AALDH1A1HSD17B10ADRA2A
SCHEMBL7485380 0.70 HTR1A (0.50) HTR1ACYP3A4ADRA1ADRD1DRD2
SCHEMBL9311596 0.70 MTNR1A (0.42) HTR1ACYP3A4DRD1HTR2AKDM4E
SCHEMBL9275178 0.69 HTR1A (0.60) HTR1ACYP3A4ADRA1ADRD1DRD2
SCHEMBL7999291 0.69 HTR1A (0.53) HTR1ACYP3A4ADRA1ADRD1DRD2
SCHEMBL8870189 0.69 HTR1A (0.53) HTR1ACYP3A4ADRA1ADRD1DRD2
Hydrochloric Acid SCHEMBL11216012 0.69 ADRA2A (0.65) ADRA1AHTR2AALDH1A1HSD17B10ADRA2A
SCHEMBL4243034 0.69 MTNR1B (0.48) HTR1ACYP3A4KDM4EALDH1A1GLA

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-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
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP 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 HTR1A 61/4885CYP3A4 28/4885ADRA1A 117/4885

“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.