SCHEMBL4199477

SCHEMBL4199477

COc1ccc(Br)c2c1C[C@@H](N1CCCC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
ADRA1A P35348 3/20 0.44
SIGMAR1 Q99720 1/20 0.41
HTR1D P28221 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4970280 1.00 CYP1A2 (0.54) CYP1A2ADRA1ASIGMAR1HTR1DHIF1A
Hydrochloric Acid SCHEMBL9341275 0.87 CYP1A2 (0.50) CYP1A2ADRA1ASIGMAR1CYP19A1DRD2
SCHEMBL4202362 0.83 ADRA1A (0.48) CYP1A2ADRA1ASIGMAR1HTR1DHIF1A
SCHEMBL4215401 0.77 CHRM2 (0.55) SIGMAR1HTR1DDRD2HTR2CHTR2B
SCHEMBL4216852 0.77 HTR1A (0.36) CYP1A2ADRA1ASIGMAR1HIF1AEPAS1
SCHEMBL8677765 0.76 SIGMAR1 (0.54) SIGMAR1HTR1DDRD2HTR2CHTR2B
SCHEMBL11393302 0.76 SIGMAR1 (0.54) SIGMAR1HTR1DDRD2HTR2CHTR2B
Hydrochloric Acid SCHEMBL7935858 0.75 SIGMAR1 (0.53) SIGMAR1HTR1DDRD2HTR2CHTR2B
Hydrochloric Acid SCHEMBL7933015 0.75 SIGMAR1 (0.53) SIGMAR1HTR1DDRD2HTR2CHTR2B
SCHEMBL4217393 0.75 ADRA1A (0.78) CYP1A2ADRA1ACYP19A1KDM4EDRD2

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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D CYP1A2 472/4885ADRA1A 72/4885SIGMAR1 35/4885

“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.