SCHEMBL21065657

SCHEMBL21065657

CCc1ccc2c(c1)C(N)CC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.48
DRD2 P14416 2/20 0.45
DRD1 P21728 1/20 0.45
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8281689 0.90 ACHE (0.50) ACHEDRD2DRD1HTR1AHTR2A
SCHEMBL6330755 0.90 ACHE (0.50) ACHEDRD2DRD1HTR1AHTR2A
Hydrochloric Acid SCHEMBL3171185 0.88 ACHE (0.49) ACHEDRD2DRD1HTR1AHTR2A
SCHEMBL14606247 0.86 DRD2 (0.42) ACHEDRD2DRD1ESR1ESR2
SCHEMBL7865743 0.84 ACHE (0.43) ACHEDRD2HTR1AHTR2AKCNH2
Hydrochloric Acid SCHEMBL7875148 0.82 ACHE (0.45) ACHEDRD2HTR1AHTR2AKCNH2
SCHEMBL8307806 0.79 DRD2 (0.48) DRD2DRD1ESR1ESR2CYP2D6
SCHEMBL27827581 0.78 ACHE (0.42) ACHEDRD2HTR1AHTR2AKCNH2
SCHEMBL19978162 0.78 HTR1A (0.43) ACHEDRD2HTR1AHTR2AKCNH2
SCHEMBL7369494 0.77 ACHE (0.39) ACHEDRD2HTR1AHTR2AKCNH2

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-20190169165-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-20190169165-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 ACHE 2683/4885DRD2 327/4885DRD1 866/4885

“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.