SCHEMBL872002

SCHEMBL872002

CN(C)Cc1ccccc1-c1cccc(-n2c(=O)n(C3CCC(N(C(=O)O)C(C)(C)C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
P2RY1 P47900 1/20 0.33
KCNH2 Q12809 1/20 0.33
F10 P00742 8/20 0.33
F2 P00734 2/20 0.33
NFE2L2 Q16236 2/20 0.32
BRAF P15056 1/20 0.31
PDE4B Q07343 4/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
F5 P12259 1/20 0.31
CTRB1 P17538 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
TNF P01375 1/20 0.31
PDE4D Q08499 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
SCHEMBL872001 1.00 METAP2 (0.36) METAP2P2RY1KCNH2F10F2
SCHEMBL870532 0.93 PDE4B (0.38) KCNH2PDE4BCYP3A4CYP2C19TNF
SCHEMBL870531 0.93 PDE4B (0.38) KCNH2PDE4BCYP3A4CYP2C19TNF
SCHEMBL872979 0.89 PDE4B (0.35) P2RY1KCNH2PDE4BTNFPDE4D
SCHEMBL872980 0.89 PDE4B (0.35) P2RY1KCNH2PDE4BTNFPDE4D
SCHEMBL869679 0.89 MGLL (0.34) NFE2L2PDE4BCYP1A2CYP3A4TSHR
SCHEMBL869678 0.89 MGLL (0.34) NFE2L2PDE4BCYP1A2CYP3A4TSHR
SCHEMBL871465 0.89 TNF (0.34) PDE4BCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL871464 0.89 TNF (0.34) PDE4BCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL871671 0.88 METAP2 (0.40) METAP2KCNH2F10PDE4BCYP3A4

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 3123/4885P2RY1 543/4885KCNH2 3141/4885

“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.