SCHEMBL133385

SCHEMBL133385

[O-][n+]1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.60
KIF11 P52732 15/20 0.54
MAOB P27338 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GSR P00390 1/20 0.40

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
SCHEMBL2334903 0.85 S1PR1 (0.53) S1PR1KIF11
SCHEMBL29914837 0.80 KIF11 (0.78) KIF11MAOBCA1CA2
SCHEMBL13410633 0.80 KIF11 (0.78) KIF11MAOBCA1CA2
SCHEMBL197238 0.80 KIF11 (0.78) KIF11MAOBCA1CA2
SCHEMBL6552971 0.78 KIF11 (0.55) S1PR1KIF11
SCHEMBL3997196 0.77 KIF11 (0.50) S1PR1KIF11
SCHEMBL4035335 0.77 POLB (0.46) S1PR1
SCHEMBL4056345 0.77 APP (0.49) S1PR1KIF11
SCHEMBL14290950 0.75 KIF11 (0.42) S1PR1KIF11
SCHEMBL1934910 0.75 S1PR1 (0.43) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
CN-101945872-B (1-azinone) -substituted pyridoindoles as mch antagonists ALBANY MOLECULAR RES INC 2014-07-23 CN disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 US disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (8 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885KIF11 2210/4885MAOB 1152/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885KIF11 2210/4885MAOB 1152/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1171/4885KIF11 2440/4885MAOB 1221/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885KIF11 2210/4885MAOB 1152/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 S1PR1 640/4885KIF11 2009/4885MAOB 1090/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 S1PR1 1034/4885KIF11 4511/4885MAOB 2409/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 S1PR1 640/4885KIF11 2009/4885MAOB 1090/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 S1PR1 640/4885KIF11 2009/4885MAOB 1090/4885

“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.