SCHEMBL13029239

SCHEMBL13029239

Cc1cc2c([nH]1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.40
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
ADCY6 O43306 1/20 0.35
ADCY3 O60266 1/20 0.35
ADCY9 O60503 1/20 0.35
ADCY5 O95622 1/20 0.35
ADCY8 P40145 1/20 0.35
ADCY7 P51828 1/20 0.35
ADCY2 Q08462 1/20 0.35
ADCY1 Q08828 1/20 0.35
ADCY4 Q8NFM4 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL20909687 0.83 PKN2 (0.49) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL21672149 0.79 PNMT (0.35) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL21941390 0.75 NISCH (0.36) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL12844664 0.71
SCHEMBL7959781 0.71 ALDH1A1 (0.46)
SCHEMBL29228916 0.71 ALOX15 (0.41) PNMTCD44MAOBADCY6ADCY3
SCHEMBL21040049 0.70 ALDH1A1 (0.46)
SCHEMBL21040048 0.70 ALDH1A1 (0.46)
SCHEMBL19706853 0.70 ALDH1A1 (0.46)
SCHEMBL21040050 0.70 ALDH1A1 (0.46)

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-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 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-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 PNMT 2961/4885CD44 2269/4885MAOB 1096/4885

“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.