SCHEMBL21118892

SCHEMBL21118892

CC(SS)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.47
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
PNMT P11086 6/20 0.42
CD44 P16070 1/20 0.42
MAOB P27338 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL21465997 0.94 PNMT (0.47) DRD2DRD3PNMTADRA2AADRA2B
SCHEMBL20889994 0.87 ITGB3 (0.31) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL21118921 0.86 ASIC3 (0.49) ASIC3DRD2DRD3PNMTCD44
SCHEMBL4565700 0.82 ASIC3 (0.55) ASIC3DRD2DRD3PNMTCD44
Hydrochloric Acid SCHEMBL1265678 0.80 ASIC3 (0.53) ASIC3DRD2DRD3PNMTCD44
SCHEMBL22543786 0.79 PNMT (0.49) DRD2DRD3PNMTADRA2AADRA2B
SCHEMBL3243076 0.79 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3055999 0.79 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL18717400 0.79 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3247113 0.79 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44

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-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2019-06-06 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-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 ASIC3 1844/4885DRD2 327/4885DRD3 482/4885

“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.