SCHEMBL6582733

SCHEMBL6582733

COc1ccccc1C1(N2Cc3ccccc3C[C@H]2C(=O)N(C)C)C(=O)Nc2cc(C)c(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
AVPR1B P47901 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
TP53 P04637 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GHSR Q92847 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 3/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 2/20 0.32
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL6582612 0.95 OXTR (0.39) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL2502274 0.89 AVPR1A (0.45) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL6583709 0.89 POLB (0.35) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL6583298 0.87 AVPR2 (0.37) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL6579744 0.85 GHSR (0.33) POLBGHSR
SCHEMBL4590060 0.85 OXTR (0.43) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL7162897 0.85 OXTR (0.43) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL5356724 0.84 AVPR1A (0.54) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL4589526 0.84 OXTR (0.41) AVPR2OXTRAVPR1AAVPR1BGPR65
SCHEMBL6949558 0.83 OXTR (0.44) AVPR2OXTRAVPR1AAVPR1BGPR65

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 AVPR2 1/4885OXTR 9/4885AVPR1A 3/4885

“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.