SCHEMBL19985867

SCHEMBL19985867

CC(C)(C)OC(=O)N[C@H]1CNC(=O)C[C@@H]1c1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 12/20 0.51
FPR2 P25090 10/20 0.51
KDM1A O60341 2/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
EPHX2 P34913 1/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 1/20 0.36
NAAA Q02083 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL20921423 0.86 FPR1 (0.64) FPR1FPR2KDM1AMAOBMAOA
SCHEMBL19988733 0.86 FPR1 (0.64) FPR1FPR2KDM1AMAOBMAOA
SCHEMBL19988652 0.85 FPR1 (0.62) FPR1FPR2KDM1AMAOBMAOA
SCHEMBL19988379 0.85 FPR1 (0.62) FPR1FPR2KDM1AMAOBMAOA
SCHEMBL19985862 0.82 KDM1A (0.46) FPR1FPR2KDM1AMAOBMAOA
SCHEMBL24890670 0.82 KDM1A (0.67) KDM1AMAOBMAOAEPHX2NFKB1
SCHEMBL24890518 0.82 KDM1A (0.67) KDM1AMAOBMAOAEPHX2NFKB1
SCHEMBL24890671 0.82 KDM1A (0.67) KDM1AMAOBMAOAEPHX2NFKB1
SCHEMBL24890668 0.82 KDM1A (0.67) KDM1AMAOBMAOAEPHX2NFKB1
SCHEMBL19985857 0.81 FPR1 (0.52) FPR1FPR2EPHX2

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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885KDM1A 4514/4885

“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.