SCHEMBL376592

SCHEMBL376592

COc1ncc(Br)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.41
CCR5 P51681 1/20 0.37
EDNRA P25101 4/20 0.36

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
SCHEMBL29749999 1.00 CCR4 (0.41) CCR4CCR5EDNRA
SCHEMBL27447550 0.84 CCR4 (0.33) CCR4CCR5EDNRA
SCHEMBL609085 0.84 CCR4 (0.45) CCR4CCR5EDNRA
SCHEMBL30416654 0.84 CCR4 (0.45) CCR4CCR5EDNRA
SCHEMBL29228512 0.80 CCR4 (0.35) CCR4EDNRA
SCHEMBL10085406 0.80 CCR4 (0.40) CCR4CCR5EDNRA
SCHEMBL32681581 0.78 CCR4 (0.39) CCR4CCR5EDNRA
SCHEMBL15003347 0.78 HPGD (0.40) CCR4EDNRA
SCHEMBL68083 0.76 CCR4 (0.43) CCR4CCR5EDNRA
SCHEMBL14970085 0.76 CCR4 (0.43) CCR4CCR5EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024125395-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF 江苏恩华药业股份有限公司 2024-06-20 WO disclosed
CN-118027018-A Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof 江苏恩华药业股份有限公司 2024-05-14 CN disclosed
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
CN-109651358-B 4-aminopyridine derivative, pharmaceutical composition, preparation method and application thereof 上海迪诺医药科技有限公司 2023-04-07 CN disclosed
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CCR4 497/4885CCR5 332/4885EDNRA 206/4885
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES CCR4 2766/4885CCR5 989/4885EDNRA 1269/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB CCR4 1717/4885CCR5 1728/4885EDNRA 4249/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CCR4 874/4885CCR5 653/4885EDNRA 211/4885

“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.