SCHEMBL4552575

SCHEMBL4552575

CCCCCN1CCc2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.60
DRD1 P21728 8/20 0.60
DRD2 P14416 6/20 0.60
GRM5 P41594 2/20 0.60
DRD4 P21917 1/20 0.58

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
SCHEMBL31134854 0.95 GRM5 (0.64) DRD3DRD1DRD2GRM5DRD4
SCHEMBL5811132 0.95 GRM5 (0.64) DRD3DRD1DRD2GRM5DRD4
SCHEMBL5386472 0.85 DRD3 (0.60) DRD3DRD1DRD2DRD4
SCHEMBL1039709 0.85 DRD3 (0.63) DRD3DRD1DRD2DRD4
SCHEMBL18030756 0.84 DRD2 (0.60) DRD3DRD2
SCHEMBL29532002 0.84 DRD2 (0.60) DRD3DRD2
SCHEMBL1037156 0.84 DRD3 (0.62) DRD3DRD1DRD2DRD4
SCHEMBL18612248 0.83 HTR7 (0.61) DRD3DRD2
SCHEMBL30183548 0.83 DRD3 (0.57) DRD3DRD1DRD2DRD4
SCHEMBL13910341 0.83 HTR7 (0.61) DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490201-A Inhibitors of YAP/TAZ-TEAD tumor proteins, their synthesis and use 布里奇恩生物科学公司 2023-07-25 CN disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US 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 (2 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 DRD3 669/4885DRD1 542/4885DRD2 517/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 DRD3 1149/4885DRD1 1154/4885DRD2 1022/4885

“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.