SCHEMBL22776643

SCHEMBL22776643

CCn1cc(C(=O)NC23CC(CC(=O)OC)(C2)C3)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.38
▸ IL1B P01584 6/20 0.38
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ NR4A2 P43354 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PTGDR Q13258 1/20 0.32

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
SCHEMBL22776591 0.94 P2RX7 (0.40) P2RX7IL1BCNR2CNR1
SCHEMBL22777090 0.92 PDE4A (0.37) P2RX7IL1BCNR2CNR1PDE4A
SCHEMBL22791491 0.85 P2RX7 (0.37) P2RX7IL1BCNR2CNR1PDE4A
SCHEMBL22776459 0.84 P2RX7 (0.37) P2RX7IL1BCNR2CNR1TBXA2R
SCHEMBL22776453 0.84 PTGER4 (0.34) CNR2CNR1OPRL1PTGER4
SCHEMBL29614495 0.81 CNR2 (0.34) P2RX7IL1BCNR2CNR1PDE4A
SCHEMBL22777091 0.81 CNR2 (0.34) P2RX7IL1BCNR2CNR1PDE4A
SCHEMBL22776532 0.80 NR4A2 (0.50) P2RX7IL1BPDE4APDE4BPDE4C
SCHEMBL29527053 0.80 NR4A2 (0.50) P2RX7IL1BPDE4APDE4BPDE4C
SCHEMBL22777101 0.80 HTR4 (0.36) OPRL1PTGER4

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
US-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — 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 (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-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF PTGER4, PTGER1, PTGER2 P2RX7 176/4885IL1B 3828/4885CNR2 38/4885

“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.

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