SCHEMBL1788080

SCHEMBL1788080

CCOc1ncccc1C1(N)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.40
NR3C2 P08235 3/20 0.40
NR3C1 P04150 2/20 0.40
AR P10275 2/20 0.40
AVPR1B P47901 1/20 0.39
IP6K1 Q92551 2/20 0.38
AURKB Q96GD4 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
ALK Q9UM73 1/20 0.33
IDH1 O75874 1/20 0.33
BACE1 P56817 1/20 0.33
SYK P43405 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3A P49840 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
SCHEMBL16837188 1.00 PGR (0.40) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL1479564 0.85 AVPR1B (0.39) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL1479873 0.85 AVPR1B (0.42) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL1590596 0.84 IDO1 (0.40) PGRIP6K1
SCHEMBL75334 0.84 PGR (0.40) PGRAVPR1BAURKBTRPV4
SCHEMBL1588454 0.82 IP6K1 (0.37) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL1479795 0.81 IP6K1 (0.41) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL16837199 0.81 IP6K1 (0.41) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL1480622 0.80 IP6K1 (0.39) PGRNR3C2NR3C1ARAVPR1B
SCHEMBL8049691 0.79 IP6K1 (0.40) PGRNR3C2NR3C1ARAVPR1B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840495-B2 Oxindole derivatives carrying a piperidyl-substituted azetidinyl substituent and use thereof for treating vasopressine-related diseases AbbVie Deutschland GmbH & Co. KG (DE) 2017-12-12 US disclosed
US-20170008875-A1 OXINDOLE DERIVATIVES CARRYING A PIPERIDYL-SUBSTITUTED AZETIDINYL SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSINE-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-12 US disclosed
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBVIE DEUTSCHLAND (DE) 2015-12-10 US disclosed
WO-2015091931-A1 OXINDOLE DERIVATIVES CARRYING A PIPERIDYL-SUBSTITUTED AZETIDINYL SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSINE-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 WO disclosed
US-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2014-12-25 US disclosed
US-8859557-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-10-14 US disclosed
US-8815868-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-08-26 US disclosed
EP-2114923-B1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2014-08-06 EP disclosed
CN-101611028-B Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO KG 2013-09-11 CN disclosed
EP-2114922-B1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR MODULATOR ABBOTT GMBH & CO KG (DE) 2013-04-24 EP disclosed
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2011-05-26 US disclosed
CN-101611028-A The oxindole derivatives that replaces and they are used as the purposes of vasopressin receptor ligands ABBOTT GMBH & CO KG (DE) 2009-12-23 CN disclosed
EP-2114921-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
EP-2114923-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
EP-2114922-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR MODULATOR Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
WO-2008080971-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080970-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080973-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080972-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR MODULATOR ABBOTT GMBH & CO. KG (DE) 2008-07-10 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 (4 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-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A PGR 548/4885NR3C2 63/4885NR3C1 358/4885
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A PGR 548/4885NR3C2 63/4885NR3C1 358/4885
US-20170008875-A1 OXINDOLE DERIVATIVES CARRYING A PIPERIDYL-SUBSTITUTED AZETIDINYL SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSINE-RELATED DISEASES AVPR2, AVPR1B, AVPR1A PGR 609/4885NR3C2 90/4885NR3C1 878/4885
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A PGR 548/4885NR3C2 63/4885NR3C1 358/4885

“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.