SCHEMBL6984577

SCHEMBL6984577

Cc1cccc(CN(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL7027271 0.87 CCR1 (0.44) IRAK4CCR1CCR8NOS3NOS2
SCHEMBL522953 0.86 ALDH1A1 (0.44) IRAK4NOS2CXCR4ALDH1A1TSHR
SCHEMBL5024861 0.84 CCR1 (0.46) IRAK4CCR1CCR8NOS3NOS2
SCHEMBL25513930 0.83 CCR1 (0.41) IRAK4CCR1CCR8NOS3NOS2
SCHEMBL12088608 0.80 CXCR4 (0.42) IRAK4CCR1CCR8NOS3NOS2
SCHEMBL12660023 0.79 CCR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL19364109 0.79 GRIN2D (0.44) IRAK4CCR1CCR8NOS3NOS2
SCHEMBL14821397 0.79 CXCR4 (0.44) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL10272748 0.78 GRIN2D (0.42) IRAK4CXCR4ALDH1A1TSHR
SCHEMBL23425851 0.78 MBOAT4 (0.39) IRAK4ALDH1A1TSHRMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053198-A1 HALF-DRY SMELL COMPOSITION AND MASKING FRAGRANCE COMPOSITION 高砂香料工業株式会社 2025-03-13 WO disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-2301930-B1 Derivatives of hexahydrobenzofuranone useful for the treatment of (inter alia) auto-immune or inflammatory disorders MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
EP-2301930-A1 Thrombin receptor antagonists Schering Corporation (US) 2011-03-30 EP disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
EP-1294714-B1 THROMBIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-08-01 EP disclosed
EP-1764366-A2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2007-03-21 EP disclosed
EP-0000106-B1 2-ALKYL NICOTINOIDS AND PROCESSES FOR THEIR PRODUCTION AND USE PHILIP MORRIS INCORPORATED (US) 1982-02-17 EP disclosed
US-4220781-A QUARTINIZATION, REARRANGEMENT AND REDUCTION PHILIP MORRIS, INC. (US) 1980-09-02 US disclosed
US-4155909-A INSECTICIDES PHILIP MORRIS INCORPORATED (US) 1979-05-22 US disclosed
EP-0000106-A1 2-Alkyl nicotinoids and processes for their production and use PHILIP MORRIS INCORPORATED (US) 1978-12-20 EP 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 (1 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR IRAK4 1872/4885CCR1 3313/4885CCR8 2654/4885

“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.