SCHEMBL13935105

SCHEMBL13935105

CCCc1cc2c(cc1C)NC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.43
▸ CACNG8 Q8WXS5 2/20 0.43
▸ AHR P35869 4/20 0.40
▸ CMA1 P23946 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ DRD1 P21728 1/20 0.37

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
SCHEMBL7899974 0.86 AHR (0.42) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL13799364 0.83 AHR (0.46) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL4976325 0.81 GRIA1 (0.46) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL5504321 0.79 GRIA1 (0.39) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL1436084 0.79 GRIA1 (0.53) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL5400154 0.75 GRIA1 (0.44) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL9051418 0.75 GRIA1 (0.39) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5498169 0.75 PGR (0.41) GRIA1CACNG8AHRCMA1MAPK1
SCHEMBL19751042 0.73 AHR (0.50) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL12064436 0.73 AHR (0.42) GRIA1CACNG8AHRCMA1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062303-A1 DEUTERIUM-ENRICHED ZIPRASIDONE PROTIA, LLC (US) 2009-03-05 — — 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-20090062303-A1 DEUTERIUM-ENRICHED ZIPRASIDONE SLC39A3, SLC6A3, AVPR2 GRIA1 1394/4885CACNG8 2961/4885AHR 1506/4885

“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.

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