SCHEMBL4991433

SCHEMBL4991433

O=C1Nc2cccc(F)c2C1=CNc1ccc(OCCCN2CCC(F)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.44
OPRM1 P35372 7/20 0.44
DRD2 P14416 5/20 0.44
DRD1 P21728 4/20 0.44
SLC6A4 P31645 3/20 0.44
HRH3 Q9Y5N1 3/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 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
SCHEMBL4991427 1.00 HTR2A (0.44) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4999221 0.96 OPRM1 (0.40) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4999223 0.96 OPRM1 (0.40) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4991138 0.91 HTR2A (0.43) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4991145 0.91 HTR2A (0.43) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4991916 0.88 HRH3 (0.47) HRH3HRH2HRH1
SCHEMBL4991922 0.88 HRH3 (0.47) HRH3HRH2HRH1
SCHEMBL4987828 0.87 HRH3 (0.43) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4987834 0.87 HRH3 (0.43) HTR2AOPRM1DRD2DRD1SLC6A4
SCHEMBL4996685 0.86 DRD2 (0.38) HTR2AOPRM1DRD2DRD1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 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 (5 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-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTR2A 921/4885OPRM1 1623/4885DRD2 2131/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTR2A 921/4885OPRM1 1623/4885DRD2 2131/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTR2A 921/4885OPRM1 1623/4885DRD2 2131/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTR2A 921/4885OPRM1 1623/4885DRD2 2131/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTR2A 921/4885OPRM1 1623/4885DRD2 2131/4885

“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.