SCHEMBL22607404

SCHEMBL22607404

CCC(C)(C)c1cc2c(cn1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR2B P41595 1/20 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
SCHEMBL22607403 0.84 PNMT (0.45) PNMTADRA2AADRA2BADRA2C
SCHEMBL12969036 0.78 PNMT (0.42) PNMTADRA2AADRA2BADRA2C
SCHEMBL22607443 0.77 SMN1; SMN2 (0.35)
SCHEMBL19033502 0.74 HTR2B (0.46) PNMTADRA2AADRA2BADRA2CHTR2B
SCHEMBL18977627 0.72 PNMT (0.43) PNMTADRA2AADRA2BADRA2C
SCHEMBL22607393 0.72 MAPT (0.40)
SCHEMBL30014954 0.71 ASIC3 (0.43) PNMTADRA2AADRA2BADRA2C
SCHEMBL26962924 0.71 ASIC3 (0.43) PNMTADRA2AADRA2BADRA2C
SCHEMBL22607192 0.70 WEE1 (0.33) PNMT
SCHEMBL13267322 0.69 ASIC3 (0.49) PNMTADRA2AADRA2BADRA2C

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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 PNMT 3792/4885ADRA2A 3936/4885ADRA2B 3700/4885

“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.