SCHEMBL1479795

SCHEMBL1479795

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 6/20 0.41
BRD4 O60885 2/20 0.38
AVPR1B P47901 1/20 0.37
NR3C2 P08235 2/20 0.35
PGR P06401 2/20 0.35
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
IDH1 O75874 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC13A5 Q86YT5 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
SCHEMBL8049691 0.91 IP6K1 (0.40) IP6K1BRD4AVPR1BNR3C2PGR
SCHEMBL1590667 0.85 IDO1 (0.44) IP6K1BRD4PGRL3MBTL1
SCHEMBL16837199 0.85 IP6K1 (0.41) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL1479873 0.83 AVPR1B (0.42) IP6K1BRD4AVPR1BNR3C2PGR
SCHEMBL1480622 0.82 IP6K1 (0.39) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL1480632 0.81 IP6K1 (0.39) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL1480365 0.81 IP6K1 (0.38) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL1788080 0.81 PGR (0.40) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL16837188 0.81 PGR (0.40) IP6K1AVPR1BNR3C2PGRNR3C1
SCHEMBL1479564 0.81 AVPR1B (0.39) IP6K1AVPR1BNR3C2PGRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403796-B2 Amidomethyl-substituted oxindole derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2016-08-02 US disclosed
US-20140275110-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-8703775-B2 Amidomethyl-substituted oxindole derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2014-04-22 US disclosed
EP-2231643-B1 Amidomethyl-substituted oxindole derivatives and their use in the manufacture of a medicament for the treatment of vasopressin-dependent diseases ABBOTT GMBH & CO KG (DE) 2012-10-31 EP disclosed
US-20110077253-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2011-03-31 US disclosed
US-20110077253-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2011-03-31 US disclosed
EP-2231643-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES Abbott GmbH & Co. KG (DE) 2010-09-29 EP disclosed
WO-2009071687-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
WO-2009071687-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2009-06-11 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-20110077253-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A IP6K1 2918/4885BRD4 960/4885AVPR1B 2/4885
US-20140275110-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A IP6K1 2918/4885BRD4 960/4885AVPR1B 2/4885

“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.