SCHEMBL1491480

SCHEMBL1491480

O=C(O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.63
ADRA2A P08913 7/20 0.63
ADRA2B P18089 3/20 0.63
ADRA2C P18825 3/20 0.63

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
SCHEMBL1491483 1.00 PNMT (0.63) PNMTADRA2AADRA2BADRA2C
SCHEMBL6391507 1.00 PNMT (0.63) PNMTADRA2AADRA2BADRA2C
SCHEMBL11167697 1.00 PNMT (0.63) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8488582 0.99 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL28292450 0.99 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL15623045 0.94 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL6921990 0.84 PNMT (0.61) PNMTADRA2AADRA2BADRA2C
SCHEMBL1202143 0.84 PNMT (0.61) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL6398473 0.83 PNMT (0.60) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL2081344 0.83 PNMT (0.60) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 WO disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
CN-101133060-B Enzyme inhibitors CHROMA THERAPEUTICS LTD 2013-06-05 CN disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 EP disclosed
EP-0018104-B1 TETRAHYDROISOQUINOLINES, THEIR PRODUCTION AND THE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE IN THE PREVENTION OR TREATMENT OF HYPERTENSION Takeda Chemical Industries, Ltd. (JP) 1983-05-25 EP disclosed
EP-0018104-A2 Tetrahydroisoquinolines, their production and the compounds and pharmaceutical compositions containing them for use in the prevention or treatment of hypertension Takeda Chemical Industries, Ltd. (JP) 1980-10-29 EP 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 (6 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 PNMT 1860/4885ADRA2A 4638/4885ADRA2B 4435/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 PNMT 1120/4885ADRA2A 2208/4885ADRA2B 2295/4885
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD PNMT 87/4885ADRA2A 858/4885ADRA2B 695/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 PNMT 1571/4885ADRA2A 1567/4885ADRA2B 1605/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK PNMT 998/4885ADRA2A 2388/4885ADRA2B 2647/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 PNMT 1190/4885ADRA2A 2658/4885ADRA2B 2710/4885

“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.