SCHEMBL3228693

SCHEMBL3228693

CC1(C)OB(c2cccnc2CC(N)=O)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
F11 P03951 4/20 0.34
CXCR2 P25025 2/20 0.34
LIPE Q05469 5/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
DGAT1 O75907 1/20 0.32
UCHL1 P09936 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
PDE5A O76074 1/20 0.32
F10 P00742 1/20 0.31
P2RX7 Q99572 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
P4HB P07237 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
SCHEMBL31042930 0.82 MAPT (0.45) UCHL1
SCHEMBL18355847 0.81 ALDH1A1 (0.44) F11CXCR2LIPEDGAT1UCHL1
SCHEMBL21224382 0.79 LPL (0.37) CXCR2DGAT1UCHL1LIPG
SCHEMBL24107664 0.78 CHRM2 (0.36) ROCK2CXCR2LIPEDGAT1UCHL1
SCHEMBL17967601 0.78 ROCK2 (0.39) ROCK2F11CXCR2LIPEF2
SCHEMBL31284350 0.78 ALDH1A1 (0.35) F11CXCR2LIPELIPG
SCHEMBL19743759 0.78 LPL (0.34) CXCR2LIPEDGAT1LIPG
SCHEMBL29179974 0.77 CXCR2 (0.40) F11CXCR2LIPEF2PRSS1
SCHEMBL25252097 0.75 DGAT1 (0.34) F11LIPEDGAT1UCHL1LIPG
SCHEMBL29266820 0.75 ROCK2 (0.43) ROCK2F11CXCR2LIPEF2

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-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 ROCK2 4661/4885F11 1227/4885CXCR2 196/4885

“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.