SCHEMBL1460158

SCHEMBL1460158

CCCCCc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
MAOB P27338 3/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 5/20 0.47
HTR2A P28223 5/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GRIA1 P42261 2/20 0.44
CACNG8 Q8WXS5 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
EPHX2 P34913 1/20 0.42
PDK2 Q15119 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL689189 0.95 AHR (0.50) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL7349900 0.89 AHR (0.53) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL11803620 0.87 HTR1A (0.53) MAOBHTR1ADRD2HTR2APDE3B
SCHEMBL8670836 0.85 AHR (0.59) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL4481831 0.85 PDE3B (0.56) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL9050921 0.85 AHR (0.49) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL4889909 0.85 AHR (0.53) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL9050907 0.84 AHR (0.47) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL5728887 0.83 AHR (0.54) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL19991984 0.83 AHR (0.50) AHRMAOBHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E AHR 424/4885MAOB 748/4885HTR1A 157/4885

“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.