Sugi Predict

Sugi Predict / Compounds / SCHEMBL6945529

SCHEMBL6945529

SCHEMBL6945529

COc1ccccc1C1(N2CCOC[C@H]2C(=O)N(C)C)C(=O)Nc2cc(C)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ OXTR P30559 4/20 0.38
▸ AVPR1A P37288 4/20 0.38
▸ AVPR1B P47901 4/20 0.38
▸ AVPR2 P30518 1/20 0.38
▸ GPR65 Q8IYL9 1/20 0.38
▸ BRD4 O60885 4/20 0.36
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ GHSR Q92847 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6947051 0.97 POLB (0.40) POLBOXTRAVPR1AAVPR1BAVPR2
SCHEMBL2498807 0.89 AVPR1B (0.45) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL4590060 0.88 OXTR (0.43) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL7162897 0.88 OXTR (0.43) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL4589526 0.87 OXTR (0.41) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL4590130 0.85 OXTR (0.43) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL5356724 0.84 AVPR1A (0.54) POLBOXTRAVPR1AAVPR1BAVPR2
SCHEMBL6582733 0.83 AVPR2 (0.38) POLBOXTRAVPR1AAVPR1BAVPR2
SCHEMBL4590186 0.83 OXTR (0.44) OXTRAVPR1AAVPR1BAVPR2GPR65
SCHEMBL4590199 0.82 OXTR (0.42) OXTRAVPR1AAVPR1BAVPR2GPR65

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-6624164-B2 Solvates and/or hydrates exhibiting affinity for the arginine-vasopressin V1b receptors or for both V1b and V1a 1a receptors. SANOFI-SYNTHELABO (FR) 2003-09-23 — — US disclosed
US-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SANOFI-AVENTIS (FR) 2003-07-24 — — US disclosed
EP-1254134-B1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES,AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN-RECEPTORS SANOFI SYNTHELABO (FR) 2003-07-23 — — EP disclosed
EP-1254134-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES,AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN-RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-06 — — EP disclosed
WO-2001055134-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASSOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 — — 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 (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-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM AVPR2, AVPR1B, AVPR1A POLB 4094/4885OXTR 10/4885AVPR1A 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.