SCHEMBL29687239

SCHEMBL29687239

COc1ncc(Cl)c(CC(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PDE4D Q08499 8/20 0.39
▸ RORC P51449 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CTSA P10619 1/20 0.34
▸ SLC13A5 Q86YT5 2/20 0.34
▸ SLC13A2 Q13183 1/20 0.34
▸ SLC13A3 Q8WWT9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33

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
SCHEMBL17681854 1.00 AKR1B1 (0.41) AKR1B1GAAPDE4DRORCSMN1; SMN2
SCHEMBL29223298 0.81 RORC (0.38) PDE4DRORCSMN1; SMN2LMNA
SCHEMBL17682382 0.78 AKR1B1 (0.44) AKR1B1GAASMN1; SMN2PTGS2PTGDR2
SCHEMBL22870401 0.77 AKR1B1 (0.43) AKR1B1PDE4DLMNAPTGS2PTGDR2
SCHEMBL29607174 0.77 AKR1B1 (0.43) AKR1B1PDE4DLMNAPTGS2PTGDR2
SCHEMBL17681855 0.72 RORC (0.39) RORC
SCHEMBL29686863 0.72 RORC (0.39) RORC
SCHEMBL24495428 0.71 ALDH1A1 (0.41) AKR1B1PDE4DSMN1; SMN2PTGS2PTGDR2
SCHEMBL29686660 0.71 ALDH1A1 (0.41) AKR1B1PDE4DSMN1; SMN2PTGS2PTGDR2
SCHEMBL8668157 0.70 AKR1B1 (0.52) AKR1B1GAAPDE4DSMN1; SMN2PTGS2

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-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 — — US disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 — — EP disclosed
CN-116507332-A Octahydroisoquinolinyl derivatives UCB生物制药有限责任公司 2023-07-28 — — CN disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 — — 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-20240043400-A1 Octahydroisoquinolinyl Derivatives OPRD1, OPRK1, OPRL1 AKR1B1 742/4885GAA 3312/4885PDE4D 362/4885

“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