SCHEMBL19972327

SCHEMBL19972327

COc1cc(F)c([C@H]2CC(=O)N(Cc3ccccc3)C[C@@H]2C(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.49
DPP4 P27487 2/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41

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
SCHEMBL19972331 1.00 FPR1 (0.49) FPR1DPP4PDE4APDE4BPDE4C
SCHEMBL19972328 1.00 FPR1 (0.49) FPR1DPP4PDE4APDE4BPDE4C
SCHEMBL19972396 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19972390 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19972397 0.94 FPR1 (0.49) FPR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19985851 0.87 FPR1 (0.45) FPR1HTTALDH1A1KMT2AMMP1
SCHEMBL19985850 0.86 DPP4 (0.51) DPP4HTTALDH1A1MEN1GAA
SCHEMBL19972364 0.85 FPR1 (0.58) FPR1DPP4PDE4APDE4BPDE4C
SCHEMBL19972374 0.83 PDE4A (0.52) FPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19972421 0.83 PDE4A (0.52) FPR1PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
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 (2 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 2/4885DPP4 4385/4885PDE4A 396/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885DPP4 4385/4885PDE4A 396/4885

“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.