SCHEMBL231891

SCHEMBL231891

NC=CCN1C(=O)Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.54
HTR1A P08908 8/20 0.54
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
DRD2 P14416 3/20 0.44
DRD5 P21918 2/20 0.44
DRD3 P35462 2/20 0.44
HPGD P15428 1/20 0.44
DRD4 P21917 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL231889 1.00 HTR7 (0.54) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL9280103 0.86 POLB (0.56) DRD2DRD3DRD4
SCHEMBL14199082 0.81 HTR7 (0.51) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL30215698 0.80 HTR7 (0.50) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL185755 0.80 HTR7 (0.50) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL4656369 0.75 HTR7 (0.57) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL6696116 0.75 HTR7 (0.57) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL5394439 0.74 HTR7 (0.53) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL5113192 0.74 HTR7 (0.53) HTR7HTR1APRMT5WDR77DRD2
SCHEMBL2954869 0.74 HTR7 (0.53) HTR7HTR1APRMT5WDR77DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840915-A REACTING RACEMIC OXINDOLE WITH CHLOROACETONITRILE IN MIXTURE CONTAINING CATALYST AND SODIUM HYDROXIDE AS DEPROTONATING AGENT, RECRYSATLLIZING, REDUCING NITRILE GROUPS, CONTACTING WITH CHIRAL ACID TO PRECIPITATE SALT HOECHST MARION ROUSSEL, INC. (US) 1998-11-24 US claimed
US-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
EP-2265582-B1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI SA (FR) 2012-01-04 EP disclosed
CN-102015642-A Novel 3-aminoalkyl-1, 3-dihydro-2H-indol-2-one derivatives, preparation method and therapeutic use thereof SANOFI AVENTIS 2011-04-13 CN disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 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 (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-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 HTR7 163/4885HTR1A 57/4885PRMT5 792/4885

“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.