SCHEMBL21769154

SCHEMBL21769154

CCc1cc2c(o1)CN(CC)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
HRH3 Q9Y5N1 3/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HTR6 P50406 1/20 0.33
ABCB1 P08183 3/20 0.32

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
SCHEMBL10515155 0.81 MAOA (0.40) HRH3DRD2DRD1CHRM3
SCHEMBL14930410 0.81 PNMT (0.41) PNMTHRH3CYP3A4TSHRHSD17B10
SCHEMBL23109907 0.80 PNMT (0.40) PNMTHRH3CYP3A4TSHRHSD17B10
SCHEMBL14925529 0.79 PNMT (0.39) PNMTHRH3CYP3A4TSHRHSD17B10
SCHEMBL10853682 0.73 PNMT (0.38) PNMTHRH3CYP3A4ABCB1
SCHEMBL10513652 0.69 MAOA (0.38) CYP3A4DRD2DRD1CHRM3HTR6
SCHEMBL10514356 0.67 DRD2 (0.42) CYP3A4DRD2CHRM3HTR6ABCB1
SCHEMBL10524531 0.67 KDM4E (0.40) DRD2DRD1
SCHEMBL10511990 0.65 MAOA (0.37) DRD2DRD1
SCHEMBL6369684 0.65 CA2 (0.48) PNMTHRH3DRD2DRD1ABCB1

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-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 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-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 PNMT 1349/4885HRH3 529/4885CYP3A4 932/4885

“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.