SCHEMBL30015936

SCHEMBL30015936

COC(=O)NC1CCc2cc(Br)cc(OC)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ FAAH O00519 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ XIAP P98170 2/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CYP2C9 P11712 2/20 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
SCHEMBL29134358 1.00 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL21178715 0.89 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL26309876 0.77 ALDH1A1 (0.41) LMNAKDM4EMAPTTSHRKMT2A
SCHEMBL26309878 0.77 ALDH1A1 (0.41) LMNAKDM4EMAPTTSHRKMT2A
SCHEMBL24698046 0.75 ERN1 (0.39) KMT2AHTR2B
SCHEMBL21178394 0.75 ERN1 (0.39) KMT2AHTR2B
SCHEMBL29134323 0.75 MALT1 (0.36) FAAHCNR2XIAPMAPTMTNR1A
SCHEMBL19961243 0.74 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL19948761 0.73 PDE10A (0.41) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL21178823 0.72 HTR1A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 — — US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 — — EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 — — EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 — — US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — 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 (3 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-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 PDE4A 3734/4885PDE4B 3457/4885PDE4C 4123/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK PDE4A 2461/4885PDE4B 2383/4885PDE4C 3057/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK PDE4A 2461/4885PDE4B 2383/4885PDE4C 3057/4885

“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.

Send feedback