SCHEMBL234713

SCHEMBL234713

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCC3CCNCC3)(c3ccccc3Cl)c3cc(Cl)c(C)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CACNA1B Q00975 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 2/20 0.31
GNRHR P30968 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
PRNP P04156 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL236066 0.95 NPSR1 (0.33) MAPTNPSR1GAACACNA1BCHRM1
SCHEMBL7466948 0.91 NPSR1 (0.36) MAPTNPSR1GAACACNA1BCHRM1
SCHEMBL7471039 0.84 NPSR1 (0.37) MAPTNPSR1GAACHRM2CHRM4
Trifluoroacetic Acid SCHEMBL8742751 0.82 CACNA1B (0.38) MAPTNPSR1ALDH1A1GAACACNA1B
SCHEMBL7468576 0.80 NPSR1 (0.39) MAPTNPSR1GAACACNA1BMEN1
SCHEMBL7474812 0.80 NPSR1 (0.36) MAPTNPSR1GAAMEN1KMT2A
Bromide SCHEMBL8592941 0.80 NPSR1 (0.39) MAPTNPSR1GAACACNA1BMEN1
SCHEMBL7476931 0.79 NPSR1 (0.36) MAPTNPSR1GAANAMPT
SCHEMBL7470255 0.79 NPSR1 (0.35) MAPTNPSR1ALDH1A1GAAMEN1
SCHEMBL7471625 0.78 NPSR1 (0.41) MAPTNPSR1ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8324214-B2 1,3-dihydro-2H-pyrrolo[3,2-bpyridin-2-one derivatives, preparation thereof and therapeutic uses thereof SANOFI (FR) 2012-12-04 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
US-20110071160-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-b]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2011-03-24 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 (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-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 MAPT 3652/4885NPSR1 25/4885ALDH1A1 1541/4885
US-20110071160-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-b]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF ALK, PDXK, OPRK1 MAPT 3502/4885NPSR1 99/4885ALDH1A1 264/4885

“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.