SCHEMBL25085559

SCHEMBL25085559

CC(C)c1ccc(C2CCNCC2)c(CN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PLAT P00750 1/20 0.40
HTR6 P50406 6/20 0.39
HTR2C P28335 5/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL20883687 0.84 TLR9 (0.42) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883807 0.83 HTR2C (0.39) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883993 0.83 SLC6A2 (0.41) CYP2D6HTR6HTR2CCHRNB2CHRNA4
SCHEMBL20883575 0.81 HTR2C (0.37) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883992 0.78 SLC6A2 (0.37) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20458024 0.77 HTR2C (0.54) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883989 0.77 MMP9 (0.37) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883806 0.77 SLC6A2 (0.36) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL15785387 0.76 HTR6 (0.45) HTR6HTR2CCHRNB2CHRNA4SLC6A2
SCHEMBL20883813 0.76 HTR1D (0.38) PLATHTR6HTR2CCHRNB2CHRNA4

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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CYP1A2 3068/4885CYP2D6 829/4885PLAT 1419/4885

“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.