SCHEMBL3316366

SCHEMBL3316366

CNC[C@@H]1CCCN(C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
CCR2 P41597 1/20 0.37
CYP2D6 P10635 7/20 0.33
GHSR Q92847 3/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
KAT2B Q92831 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL3317300 1.00 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRROCK2
SCHEMBL3316369 1.00 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRROCK2
SCHEMBL1484874 0.89 LMNA (0.36)
SCHEMBL552030 0.89 LMNA (0.36)
SCHEMBL27323802 0.85 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL17827393 0.85 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL26949296 0.85 KCNH2 (0.37) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL24535944 0.82 KCNH2 (0.38) KCNH2CCR2CYP2D6GHSRKAT2B
SCHEMBL13755999 0.80
SCHEMBL3316370 0.80 ADH1B (0.50) KCNH2CCR2CYP2D6GHSRKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US disclosed
EP-2041141-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2009-04-01 EP disclosed
WO-2008006883-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2008-01-17 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD KCNH2 3671/4885CCR2 3381/4885CYP2D6 890/4885

“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.