SCHEMBL21855561

SCHEMBL21855561

COC(=O)C[C@H]1CC[C@@H](Oc2ncccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.44
▸ HCRTR2 O43614 2/20 0.44
▸ SSTR4 P31391 10/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ SSTR1 P30872 3/20 0.40
▸ AVPR1A P37288 1/20 0.38

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
SCHEMBL21855559 1.00 HCRTR1 (0.44) HCRTR1HCRTR2SSTR4PDE10AFFAR4
SCHEMBL30689342 0.81 HCRTR1 (0.46) HCRTR1HCRTR2SSTR4PDE10ASSTR1
SCHEMBL21855680 0.80 HCRTR1 (0.43) HCRTR1HCRTR2SSTR4PDE10ASSTR1
SCHEMBL21855682 0.80 HCRTR1 (0.43) HCRTR1HCRTR2SSTR4PDE10ASSTR1
SCHEMBL30689324 0.78 HCRTR1 (0.47) HCRTR1HCRTR2SSTR4PDE10AFFAR4
SCHEMBL14127724 0.78 CYP19A1 (0.46) —
SCHEMBL21939482 0.78 PDE10A (0.42) HCRTR1HCRTR2SSTR4PDE10ASSTR1
SCHEMBL14235504 0.78 CYP19A1 (0.46) —
SCHEMBL15696551 0.77 HCRTR1 (0.46) HCRTR1HCRTR2PDE10AAVPR1A
SCHEMBL15800230 0.77 HCRTR1 (0.46) HCRTR1HCRTR2PDE10AAVPR1A

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 5 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

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 HCRTR1 665/4885HCRTR2 521/4885SSTR4 3052/4885
US-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, AADAC HCRTR1 573/4885HCRTR2 414/4885SSTR4 3533/4885

“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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