SCHEMBL871671

SCHEMBL871671

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
CNR2 P34972 4/20 0.36
PDE4B Q07343 10/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
F10 P00742 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL871672 1.00 METAP2 (0.40) METAP2CNR2PDE4BCYP3A4CYP2C9
SCHEMBL872270 0.93 PDE4B (0.42) METAP2CNR2PDE4BCYP3A4CYP2C9
SCHEMBL872271 0.93 PDE4B (0.42) METAP2CNR2PDE4BCYP3A4CYP2C9
SCHEMBL871669 0.91 PDE4B (0.34) CNR2PDE4BCYP3A4CYP2C9CYP2C19
SCHEMBL871670 0.91 PDE4B (0.34) CNR2PDE4BCYP3A4CYP2C9CYP2C19
SCHEMBL872002 0.88 METAP2 (0.36) METAP2PDE4BCYP3A4CYP2C19KCNH2
SCHEMBL872001 0.88 METAP2 (0.36) METAP2PDE4BCYP3A4CYP2C19KCNH2
SCHEMBL870618 0.87 PDE4B (0.40) CNR2PDE4BKCNH2CNR1
SCHEMBL870619 0.87 PDE4B (0.40) CNR2PDE4BKCNH2CNR1
SCHEMBL3029268 0.86 PDE4B (0.43) METAP2CNR2PDE4BCYP3A4CYP2C9

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B METAP2 3123/4885CNR2 2229/4885PDE4B 2/4885

“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.