SCHEMBL19082714

SCHEMBL19082714

CC(=O)O[C@H]1CCOC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.37
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL24752327 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL17294429 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL24792569 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL2627321 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL22475427 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL25666112 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL20419315 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL23982861 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL7912588 0.84 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL24752585 0.84 CHRM2 (0.38) CHRM2CHRM1CYP2D6MEN1KMT2A

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-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS Glaxosmithline Intellectual Property Development Limited (GB) 2017-07-06 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-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 CHRM2 3706/4885CHRM1 3744/4885CYP2D6 3088/4885

“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.