SCHEMBL3316372

SCHEMBL3316372

CC(C)N1CCC[C@@H](CC(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
PARP1 P09874 4/20 0.37
KDM2B Q8NHM5 1/20 0.35
CYP2D6 P10635 5/20 0.34
PARP2 Q9UGN5 1/20 0.33
GHSR Q92847 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 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
SCHEMBL3319700 1.00 CCR2 (0.40) CCR2KCNH2PARP1KDM2BCYP2D6
SCHEMBL3317297 1.00 CCR2 (0.40) CCR2KCNH2PARP1KDM2BCYP2D6
SCHEMBL20088227 0.90 HRH3 (0.36) CCR2KCNH2PARP1CYP2D6PARP2
SCHEMBL12095083 0.90 HRH3 (0.36) CCR2KCNH2PARP1CYP2D6PARP2
SCHEMBL16768020 0.85 CCR2 (0.40) CCR2KCNH2KDM2BCYP2D6GHSR
SCHEMBL17190310 0.85 KCNH2 (0.40) CCR2KCNH2PARP1KDM2BCYP2D6
SCHEMBL29108912 0.85 CCR2 (0.40) CCR2KCNH2KDM2BCYP2D6GHSR
SCHEMBL22606404 0.83 KCNH2 (0.40) CCR2KCNH2PARP1KDM2BCYP2D6
SCHEMBL18875745 0.83 KCNH2 (0.40) CCR2KCNH2PARP1KDM2BCYP2D6
SCHEMBL13402613 0.80 TDP1 (0.49) CCR2KCNH2PARP1KDM2BCYP2D6

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US claimed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD CCR2 3381/4885KCNH2 3671/4885PARP1 255/4885

“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.