SCHEMBL1663622

SCHEMBL1663622

O=C(O)c1n[nH]c2c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 1.00
KMT2A Q03164 2/20 0.92
TSHR P16473 1/20 0.89
GAA P10253 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK10 P53779 1/20 0.44

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
SCHEMBL5952125 0.96 HCAR2 (1.00) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL1149868 0.94 TSHR (1.00) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL395525 0.94 TSHR (1.00) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL5083071 0.82 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL21764920 0.82 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL25334427 0.78 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL14648769 0.78 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL22518545 0.78 HCAR2 (0.64) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL24877853 0.78 HCAR2 (0.64) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL22887837 0.77 TSHR (0.71) HCAR2KMT2ATSHRGAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677672-A Tetrahydrocarbazole-1-formamide derivative and preparation method and application thereof 厦门大学 2023-02-03 CN claimed
CN-114853674-A Production method of medical intermediate 1,4,5, 6-tetrahydro-3-cyclopentapyrazole formonitrile 浙江安贝特药业有限公司 2022-08-05 CN claimed
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
EP-4612146-A1 AHR AGONISTS Eli Lilly and Company (US) 2025-09-10 EP disclosed
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HCAR2 3535/4885KMT2A 1678/4885TSHR 3828/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR2 3979/4885KMT2A 1844/4885TSHR 4027/4885
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 HCAR2 317/4885KMT2A 1603/4885TSHR 1080/4885
US-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 HCAR2 684/4885KMT2A 2810/4885TSHR 3014/4885

“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.