SCHEMBL26314849

SCHEMBL26314849

CCN1CCCC(COC(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
HTR2A P28223 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CCR2 P41597 3/20 0.34
BCHE P06276 3/20 0.34
KCNH2 Q12809 2/20 0.34
ACHE P22303 2/20 0.34
MAOB P27338 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL21743155 0.89 CHRM3 (0.38) CYP3A4CYP1A2CYP2D6DRD2DRD3
SCHEMBL21667895 0.89 CHRM3 (0.38) CYP3A4CYP1A2CYP2D6DRD2DRD3
SCHEMBL17212848 0.89 CHRM3 (0.38) CYP3A4CYP1A2CYP2D6DRD2DRD3
SCHEMBL23588529 0.87 DRD2 (0.42) DRD2DRD3KDM2B
SCHEMBL19124611 0.85 HTR2A (0.37) CYP3A4HTR2ACYP1A2CYP2D6DRD2
SCHEMBL772852 0.85 BCHE (0.33) BCHEACHEMAOBNPSR1
SCHEMBL7702796 0.82 NPSR1 (0.40) CYP3A4HTR2ACYP1A2CYP2D6DRD2
SCHEMBL21667902 0.81
SCHEMBL23023339 0.80 CHRNB2 (0.39) HTR2ACYP2D6DRD3KCNH2MAOB
SCHEMBL2621581 0.80 CHRNB2 (0.39) HTR2ACYP2D6DRD3KCNH2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 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-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE CYP3A4 1348/4885HTR2A 334/4885CYP1A2 640/4885

“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.