SCHEMBL29601133

SCHEMBL29601133

COc1ccnc(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLAU P00749 1/20 0.43
ERN1 O75460 1/20 0.43
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP2A6 P11509 1/20 0.42
NFE2L2 Q16236 5/20 0.41
MAPT P10636 1/20 0.40
CBFB Q13951 1/20 0.40
TERT O14746 1/20 0.39

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
SCHEMBL1208300 1.00 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL7330317 0.82 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL16179703 0.81 ALDH1A1 (0.59) ALDH1A1ERN1CYP2A6NFE2L2DYRK1A
SCHEMBL29956732 0.81 NQO1 (0.41) NOS1NOS2ALDH1A1KDM4ENPSR1
SCHEMBL19282141 0.81 NQO1 (0.41) NOS1NOS2ALDH1A1KDM4ENPSR1
SCHEMBL24573019 0.80 DYRK1A (0.60) ALDH1A1KDM4EMAPK1ERN1CYP2A6
SCHEMBL931557 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11096737 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL17356164 0.80 CCR1 (0.32) CCR1CCR5CCR8NOS3NOS1
SCHEMBL28173060 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 EP claimed
CN-119039275-A Preparation method of biologically active imidazole derivative 2,3, 5-tripyridine substituted imidazole 武汉理工大学深圳研究院 2024-11-29 CN claimed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
CN-120025304-A Method for preparing cyclic ether based on propargyl compound 南京师范大学 2025-05-23 CN disclosed
WO-2025080653-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUNDS ACTING AGAINST CANCERS, INFLAMMATORY DISEASES, AND FIBROTIC DISEASE VIA INTERACTION WITH RAS SUPERFAMILY PROTEINS SHY THERAPEUTICS, LLC (US) 2025-04-17 WO disclosed
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
CN-119039275-A Preparation method of biologically active imidazole derivative 2,3, 5-tripyridine substituted imidazole 武汉理工大学深圳研究院 2024-11-29 CN disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024022313-A1 METHOD FOR SITE-DIRECTED SYNTHESIS OF PROTEIN-ACTIVE MOLECULAR CONJUGATE 南京金斯瑞生物科技有限公司 2024-02-01 WO disclosed
WO-2024022315-A1 METHOD FOR PURIFYING PROTEIN-NUCLEIC ACID CONJUGATE 南京金斯瑞生物科技有限公司 2024-02-01 WO disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
EP-4096661-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS Kamari Pharma Ltd. (IL) 2022-12-07 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CCR1 1712/4885CCR5 1934/4885CCR8 3004/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885

“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.