SCHEMBL20909682

SCHEMBL20909682

CNC1CCc2cc(C)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
DRD4 P21917 2/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
ACHE P22303 5/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SRD5A1 P18405 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
SCHEMBL20909683 0.93 DRD3 (0.46) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL22547547 0.85 ACHE (0.39) DRD2DRD3DRD4CA1CA2
SCHEMBL11974565 0.85 ACHE (0.39) DRD2DRD3DRD4CA1CA2
SCHEMBL13102511 0.84 HTR1D (0.43) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL1026200 0.83 ACHE (0.38) DRD2DRD3DRD4CA1CA2
SCHEMBL26297477 0.81 HTR1D (0.55) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL23306037 0.81 DRD2 (0.45) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL2787004 0.81 DRD2 (0.45) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL6839556 0.81 CA1 (0.62) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL14572970 0.80 CA1 (0.45) DRD2DRD3DRD4HTR1DHTR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278987-A1 Antimicrobial Compounds and Methods CURZA GLOBAL, LLC. 2023-09-07 US disclosed
US-20230278987-A1 Antimicrobial Compounds and Methods CURZA GLOBAL, LLC. 2023-09-07 US disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO 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-20230278987-A1 Antimicrobial Compounds and Methods CLPP, RPN2, MPO DRD2 2265/4885DRD3 1602/4885DRD4 904/4885

“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.