SCHEMBL236066

SCHEMBL236066

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
CACNA1B Q00975 1/20 0.32
NAMPT P43490 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
PRNP P04156 1/20 0.31
ROCK2 O75116 1/20 0.31
CHRM1 P11229 1/20 0.31
MAPT P10636 1/20 0.31
NR1I3 Q14994 1/20 0.31
TP53 P04637 1/20 0.31
KDM1A O60341 1/20 0.31
KDM1B Q8NB78 1/20 0.31

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
SCHEMBL234713 0.95 MAPT (0.32) NPSR1GAACACNA1BNAMPTMEN1
SCHEMBL7466948 0.93 NPSR1 (0.36) NPSR1GAACACNA1BMEN1KMT2A
SCHEMBL7471039 0.86 NPSR1 (0.37) NPSR1GAAMEN1KMT2AGNRHR
Trifluoroacetic Acid SCHEMBL8742751 0.83 CACNA1B (0.38) NPSR1GAACACNA1BMEN1KMT2A
SCHEMBL7470255 0.83 NPSR1 (0.35) NPSR1GAANAMPTMEN1KMT2A
SCHEMBL7468576 0.82 NPSR1 (0.39) NPSR1GAACACNA1BMEN1KMT2A
SCHEMBL7474812 0.81 NPSR1 (0.36) NPSR1GAANAMPTMEN1KMT2A
Bromide SCHEMBL8592941 0.81 NPSR1 (0.39) NPSR1GAACACNA1BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8589290 0.81 CACNA1B (0.36) NPSR1GAACACNA1B
SCHEMBL7471625 0.80 NPSR1 (0.41) NPSR1GAANAMPTMEN1KMT2A

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 15 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
EP-2294068-B1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2011-11-02 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
EP-2294068-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2011-03-16 EP 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
EP-2265582-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009133314-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-11-05 WO disclosed
WO-2009115685-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO 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 NPSR1 25/4885GAA 4643/4885CACNA1B 186/4885
US-20110071160-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-b]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF ALK, PDXK, OPRK1 NPSR1 99/4885GAA 2758/4885CACNA1B 1847/4885

“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.