SCHEMBL5374780

SCHEMBL5374780

Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(CCCC(=O)c2cc(Br)c(N)c(Br)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.55
DRD2 P14416 4/20 0.55
HTR2A P28223 4/20 0.55
DRD3 P35462 4/20 0.55
ADRA2A P08913 3/20 0.55
CYP2D6 P10635 3/20 0.55
DRD4 P21917 2/20 0.55
CHRM1 P11229 2/20 0.55
LMNA P02545 2/20 0.55
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
SLC6A2 P23975 2/20 0.55
HTR2C P28335 2/20 0.55
ADRA1A P35348 2/20 0.55
HRH1 P35367 2/20 0.55
OPRK1 P41145 2/20 0.55
HTR2B P41595 2/20 0.55
SLC6A3 Q01959 2/20 0.55

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
SCHEMBL5374812 0.93 CHRM1 (0.55) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5387468 0.91 DRD2 (0.57) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5369487 0.88 CHRM1 (0.70) HTR1ADRD2HTR2ADRD3ADRA2A
Hydrochloric Acid SCHEMBL5366218 0.88 CHRM1 (0.69) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5376350 0.88 DRD2 (0.51) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5373097 0.86 DRD2 (0.52) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5369819 0.86 SIRT2 (0.52) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5371815 0.83 DRD2 (0.49) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL17565773 0.79 CYP2D6 (0.82) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL5367571 0.75 HSD11B1 (0.52) HTR1ADRD2HTR2ADRD3ADRA2A

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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 HTR1A 69/4885DRD2 551/4885HTR2A 165/4885

“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.