SCHEMBL1491483

SCHEMBL1491483

O=C(O)C1Cc2ccc([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
SCHEMBL6391507 1.00 PNMT (0.63) PNMTADRA2AADRA2BADRA2C
SCHEMBL1491480 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids THE PROCTER & GAMBLE COMPANY 2005-07-14 US claimed
WO-2004074256-A1 TETRAHYDROISOQUINOLINYL SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed
EP-3313854-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES Bristol-Myers Squibb Company (US) 2018-05-02 EP disclosed
US-9902740-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
EP-2897949-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-01-10 EP disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 US disclosed
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
WO-2016209951-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 WO disclosed
US-20160376288-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2016-12-29 US disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US 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
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids THE PROCTER & GAMBLE COMPANY 2005-07-14 US disclosed
WO-2004074256-A1 TETRAHYDROISOQUINOLINYL SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 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 (5 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-20150322111-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 PNMT 4466/4885ADRA2A 2831/4885ADRA2B 2735/4885
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids PTPRS, PTPRJ, PTPRM PNMT 1903/4885ADRA2A 4685/4885ADRA2B 4699/4885
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 PNMT 2204/4885ADRA2A 204/4885ADRA2B 107/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK PNMT 998/4885ADRA2A 2388/4885ADRA2B 2647/4885
US-20160376288-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 PNMT 2204/4885ADRA2A 204/4885ADRA2B 107/4885

“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.