SCHEMBL18255018

SCHEMBL18255018

COC(=O)c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C(=O)[C@@H]2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
USP30 Q70CQ3 2/20 0.37
UCHL1 P09936 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL18247835 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL18245067 0.89 ATM (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3163882 0.89 ATM (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18244795 0.89 ATM (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18252865 0.85 GPR119 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13818145 0.83 RORC (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL20013729 0.81 GAA (0.47) GAAKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL14635682 0.81 USP30 (0.46) PDE4BKDM4EALDH1A1KMT2AUSP30
SCHEMBL14635683 0.81 USP30 (0.46) PDE4BKDM4EALDH1A1KMT2AUSP30
SCHEMBL18245319 0.81 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 WO 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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 PDE4A 1393/4885PDE4B 2315/4885PDE4C 2445/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 PDE4A 1795/4885PDE4B 2687/4885PDE4C 3036/4885

“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.