SCHEMBL6579744

SCHEMBL6579744

CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C1(c2ccccc2Cl)C(=O)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MDM2 Q00987 2/20 0.32
HSD11B1 P28845 1/20 0.32
PDK2 Q15119 1/20 0.31
TACR1 P25103 1/20 0.31
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 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
SCHEMBL6583709 0.91 POLB (0.35) POLBMDM2
SCHEMBL6584708 0.91 AKR1C3 (0.41) POLBMDM2
SCHEMBL6582612 0.90 OXTR (0.39) GHSRPOLBMDM2
SCHEMBL6582733 0.85 AVPR2 (0.38) GHSRPOLB
SCHEMBL4590180 0.83 BRD4 (0.40) GHSRPDK2
SCHEMBL5353210 0.82 AVPR1A (0.43) GHSRMDM2PDK2
SCHEMBL4588792 0.82 CASP3 (0.38) GHSRMDM2PDK2
SCHEMBL2502274 0.81 AVPR1A (0.45) POLB
SCHEMBL6585299 0.78 OXTR (0.40) POLB
SCHEMBL6585126 0.77 GSK3A (0.35) HSP90AA1POLBMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259505-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
US-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 US disclosed
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 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-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A GHSR 99/4885HSP90AA1 2900/4885HSP90AB1 2658/4885

“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.