SCHEMBL7512740

SCHEMBL7512740

CC1Cc2ccc([N+](=O)[O-])cc2CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 1.00
ADRA2A P08913 7/20 1.00
ADRA2B P18089 3/20 1.00
ADRA2C P18825 3/20 1.00

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
SCHEMBL19035841 1.00 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7511868 0.98 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
SCHEMBL4164273 0.94 PNMT (0.88) PNMTADRA2AADRA2BADRA2C
SCHEMBL7508509 0.82 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL7517496 0.82 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7516296 0.81 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
SCHEMBL27492215 0.81 PNMT (0.68) PNMTADRA2AADRA2BADRA2C
SCHEMBL23752397 0.78 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL6391507 0.78 PNMT (0.63) PNMTADRA2AADRA2BADRA2C
SCHEMBL1491483 0.78 PNMT (0.63) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed
EP-0861250-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 1998-09-02 EP disclosed
WO-1997017344-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1997-05-15 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 (1 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A PNMT 671/4885ADRA2A 1301/4885ADRA2B 1507/4885

“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.