SCHEMBL21855668

SCHEMBL21855668

Cc1c(Cl)cccc1OC1CCC(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ HRH1 P35367 2/20 0.37
▸ CCR3 P51677 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL21855562 0.87 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3HRH1CCR3
SCHEMBL30734735 0.83 AR (0.39) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL26635517 0.83 AR (0.39) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL26635519 0.83 AR (0.39) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL24088392 0.80 L3MBTL1 (0.44) MRGPRX4ALDH1A1ENPP2
SCHEMBL21855519 0.80 L3MBTL1 (0.41) SLC6A4SLC6A2SLC6A3HRH1CCR3
SCHEMBL30663016 0.77 AR (0.38) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL26635834 0.77 AR (0.38) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL26636543 0.77 AR (0.38) HRH1CCR3ESR2OPRK1KCNH2
SCHEMBL30663180 0.76 AR (0.37) ESR2OPRK1KCNH2ENPP2

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 6 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
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
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 SLC6A4 540/4885SLC6A2 1104/4885SLC6A3 639/4885
US-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, AADAC SLC6A4 356/4885SLC6A2 853/4885SLC6A3 474/4885

“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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