SCHEMBL21855519

SCHEMBL21855519

COC(=O)CC1CCC(Oc2cccc(Cl)c2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL24088392 0.90 L3MBTL1 (0.44) L3MBTL1ALDH1A1FFAR4MRGPRX4HTT
SCHEMBL26637608 0.85 AR (0.41) L3MBTL1IDO1FFAR4HTTSCD
SCHEMBL26639659 0.85 AR (0.41) L3MBTL1IDO1FFAR4HTTSCD
SCHEMBL26636223 0.85 AR (0.41) L3MBTL1IDO1FFAR4HTTSCD
SCHEMBL30657294 0.85 AR (0.41) L3MBTL1IDO1FFAR4HTTSCD
SCHEMBL21855668 0.80 SLC6A4 (0.38) PDE4DRORCALDH1A1MRGPRX4SLC6A2
SCHEMBL21855562 0.76 SLC6A4 (0.37) FFAR4MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL12440598 0.73 EPHX2 (0.42) ALDH1A1EPHX2
SCHEMBL15568108 0.73 RORC (0.47) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL15566446 0.72 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DRORC

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-3867232-B1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-12-18 — — EP disclosed
US-12152019-B2 Arylalkyl pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-11-26 — — US disclosed
US-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-09 — — US disclosed
WO-2020081381-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-04-23 — — 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-12152019-B2 Arylalkyl pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, AADAC L3MBTL1 4743/4885PDE4A 1405/4885PDE4B 1298/4885
US-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, AADAC L3MBTL1 4550/4885PDE4A 1228/4885PDE4B 1077/4885

“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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