SCHEMBL3149524

SCHEMBL3149524

NCC1Cc2cc(O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
ESR1 P03372 6/20 0.47
ESR2 Q92731 6/20 0.47
MEN1 O00255 2/20 0.46
GLA P06280 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
NR1I2 O75469 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 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
SCHEMBL3157930 0.85 ESR1 (0.47) HTR2AESR1ESR2MEN1GLA
SCHEMBL5712647 0.81 ESR1 (0.66) HTR2AESR1ESR2HTR6ADRA2A
SCHEMBL10706910 0.79 ESR1 (0.68) ESR1ESR2HTR6ADRA2AADRA2B
Bromide SCHEMBL9688022 0.78 ESR1 (0.66) ESR1ESR2HTR6ADRA2AADRA2B
SCHEMBL7943697 0.76 ADRA2A (0.67) HTR2AUSP2ALDH1A1MAPTNFKB1
Hydrochloric Acid SCHEMBL11216012 0.74 ADRA2A (0.65) HTR2AUSP2ALDH1A1MAPTNFKB1
SCHEMBL29529224 0.72 CREBBP (0.43) HTR2AGAAALDH1A1LMNATP53
SCHEMBL13048335 0.72 MIF (0.46) ESR1ESR2MEN1GLAKMT2A
SCHEMBL3749235 0.72 SHBG (0.43) HTR2AESR1ESR2MEN1GLA
SCHEMBL13048317 0.72 MIF (0.46) ESR1ESR2MEN1GLAKMT2A

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 HTR2A 223/4885ESR1 403/4885ESR2 347/4885

“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.