Penirolol

Penirolol

SCHEMBL1254596

CCC(C)(C)NCC(O)COc1ccccc1C#N

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.79
ADRA2A P08913 1/20 0.79
ADRA2B P18089 1/20 0.79
MAOA P21397 1/20 0.79
HTR2B P41595 1/20 0.79
CYP2D6 P10635 9/20 0.69
CASR P41180 5/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
KCNH2 Q12809 2/20 0.69
ADRB2 P07550 2/20 0.69
ADRB3 P13945 2/20 0.69
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC22A1 O15245 1/20 0.64
ADRB1 P08588 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL11747215 0.90 HTR1A (0.79) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL5460114 0.89 HTR1A (0.77) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL5460117 0.89 HTR1A (0.77) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL5460120 0.89 HTR1A (0.77) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL29354749 0.88 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL34720 0.88 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL34721 0.88 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL6506350 0.88 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL142695 0.87 HTR1A (0.97) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL6061096 0.87 HTR1A (0.97) HTR1AADRA2AADRA2BMAOAHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US claimed
US-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2017-01-05 US claimed
US-9498481-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-22 US claimed
US-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2016-07-07 US claimed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20140286943-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2014-09-25 US claimed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US claimed
US-8575348-B2 Quinolone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC (US) 2013-11-05 US claimed
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2012-11-29 US claimed
US-20110136861-A1 QUINOLONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US claimed
WO-2011017108-A2 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP claimed
US-4849530-A Process for the preparation of crystalline salts or aryloxy-propanolamines RORER PHARMACEUTICAL CORPORATION (US) 1989-07-18 US claimed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US claimed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP claimed

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-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 HTR1A 283/4885ADRA2A 111/4885ADRA2B 130/4885
US-20110136861-A1 QUINOLONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G12A, PLA2G4A, PLA2G2A HTR1A 1455/4885ADRA2A 359/4885ADRA2B 426/4885
US-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 HTR1A 283/4885ADRA2A 111/4885ADRA2B 130/4885
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 HTR1A 318/4885ADRA2A 91/4885ADRA2B 110/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B HTR1A 1445/4885ADRA2A 769/4885ADRA2B 919/4885
US-20140286943-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 HTR1A 283/4885ADRA2A 111/4885ADRA2B 130/4885

“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.