SCHEMBL146298

SCHEMBL146298

O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc([N+](=O)[O-])ccc3n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.76
PDE4B Q07343 2/20 0.76
PDE4C Q08493 2/20 0.76
PDE4D Q08499 2/20 0.76
PDE5A O76074 7/20 0.68
PDE2A O00408 1/20 0.68
PDE1A P54750 1/20 0.68
PDE1B Q01064 1/20 0.68
PDE1C Q14123 1/20 0.68
RHOA P61586 1/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MCHR1 Q99705 1/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7417021 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL149748 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5598718 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7504141 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5917665 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
Hydrochloric Acid SCHEMBL29801523 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5917668 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
Hydrochloric Acid SCHEMBL7502602 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
Potassium SCHEMBL7504150 0.86 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7497369 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PFIZER INC 2004-05-06 US claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US claimed
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction CAMPBELL SIMON FRASER (GB) 2001-11-22 US claimed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP claimed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 WO claimed
US-20150250801-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION BESINS HEALTHCARE LUXEMBOURG SARL (LU) 2015-09-10 US disclosed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
US-20140142077-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION LABORATORIES BESINS INTERNATIONAL, SAS (FR) 2014-05-22 US disclosed
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-20120245134-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-09-27 US disclosed
US-8263555-B2 Use of bradykinin and related B2R agonists to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-09-11 US disclosed
US-6037346-A Local administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-03-14 US disclosed
WO-1999021558-A2 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 1999-05-06 WO disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP disclosed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 WO disclosed
EP-0691967-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS Eisai Co., Ltd. (JP) 1996-01-17 EP disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 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 (4 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PDE4A 390/4885PDE4B 649/4885PDE4C 758/4885
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE5A, PDE2A PDE4A 5/4885PDE4B 7/4885PDE4C 8/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE4A 1173/4885PDE4B 1204/4885PDE4C 1042/4885
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE2A, PDE3B PDE4A 5/4885PDE4B 8/4885PDE4C 7/4885

“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.