SCHEMBL19972421

SCHEMBL19972421

COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C[C@H]2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP3 P08254 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP7 P09237 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FPR1 P21462 1/20 0.46

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
SCHEMBL19972374 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL19972419 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL19985859 0.85 HPGD (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7247095 0.85 HTT (0.60) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7247085 0.85 HTT (0.60) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7247091 0.85 HTT (0.60) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL19972384 0.84 FPR1 (0.55) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL19972327 0.83 FPR1 (0.49) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL19972331 0.83 FPR1 (0.49) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL19972328 0.83 FPR1 (0.49) PDE4APDE4BPDE4CPDE4DMMP1

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 PDE4A 396/4885PDE4B 407/4885PDE4C 508/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 PDE4A 396/4885PDE4B 407/4885PDE4C 508/4885

“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.