SCHEMBL21752508

SCHEMBL21752508

C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.51
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21996073 0.78 RIPK1 (0.46) HCAR2NPC1GAARAB9A
SCHEMBL21996049 0.78 HCAR2 (0.62) HCAR2PLA2G1BATG4BKMT2ATSHR
SCHEMBL21996005 0.73 HCAR2 (0.57) HCAR2LMNANPC1ALDH1A1HPGD
SCHEMBL21764920 0.71 HCAR2 (0.70) HCAR2KMT2ATSHRMAPTLMNA
SCHEMBL17515544 0.70 RBP4 (0.48) HCAR2PLA2G1BATG4BMAPTGFER
SCHEMBL24878781 0.69 NPC1 (0.40) KMT2ATSHRLMNANPC1ALDH1A1
SCHEMBL21752525 0.69 LMNA (0.45) KMT2ATSHRLMNAPOLBNPC1
SCHEMBL1663622 0.69 HCAR2 (1.00) HCAR2KMT2ATSHRMAPTLMNA
SCHEMBL30352828 0.69 ALDH1A1 (0.40) KMT2ATSHRLMNANPC1ALDH1A1
SCHEMBL14648769 0.68 HCAR2 (0.70) HCAR2KMT2ATSHRMAPTLMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP disclosed
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
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-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
EP-3840747-B1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 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
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
EP-3873464-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
EP-3840747-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-06-30 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 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
WO-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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 (8 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 HCAR2 515/4885PLA2G1B 592/4885ATG4B 1402/4885
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 HCAR2 449/4885PLA2G1B 743/4885ATG4B 1455/4885
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 HCAR2 317/4885PLA2G1B 2752/4885ATG4B 2747/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU HCAR2 557/4885PLA2G1B 961/4885ATG4B 1365/4885
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU HCAR2 247/4885PLA2G1B 719/4885ATG4B 1892/4885
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU HCAR2 633/4885PLA2G1B 936/4885ATG4B 1556/4885
US-20210380572-A1 NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, AADAC HCAR2 406/4885PLA2G1B 535/4885ATG4B 1171/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC HCAR2 351/4885PLA2G1B 791/4885ATG4B 2159/4885

“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.