SCHEMBL3759113

SCHEMBL3759113

CCNC(=O)Nc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.86
PDE4D Q08499 2/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69

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
SCHEMBL3759110 1.00 PDE4A (0.86) PDE4APDE4DPDE4BPDE4C
SCHEMBL7430085 0.97 PDE4A (0.82) PDE4APDE4DPDE4BPDE4C
SCHEMBL29370366 0.93 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL7907449 0.90 PDE4A (0.85) PDE4APDE4DPDE4BPDE4C
SCHEMBL6755456 0.89 PDE4A (0.83) PDE4APDE4DPDE4BPDE4C
SCHEMBL8690001 0.89 PDE4A (0.77) PDE4APDE4DPDE4BPDE4C
SCHEMBL7531755 0.89 PDE4A (0.77) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7412911 0.88 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7412907 0.88 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL6754527 0.88 PDE4A (0.79) PDE4APDE4DPDE4BPDE4C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP claimed
US-20130225597-A1 USE OF PHOSPHODIESTERASE INHIBITOR TO ENHANCE POST-SURGICAL ERECTION IN MEN UNDERGOING RADICAL PROSTATECTOMY UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-08-29 US disclosed
US-20120184517-A1 TREATMENT OF DISEASES WITH ALTERED SMOOTH MUSCLE CONTRACTILITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-19 US disclosed
WO-2010126609-A2 TREATMENT OF DISEASES WITH ALTERED SMOOTH MUSCLE CONTRACTILITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-11-04 WO disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 US disclosed
US-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor MANNING PAMELA T (US) 2004-05-06 US disclosed
US-20030022814-A1 Method for treating or preventing depression REINES SCOTT A (US) 2003-01-30 US disclosed
US-20010049368-A1 Method for treating or preventing depression REINES SCOTT A (US) 2001-12-06 US disclosed
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
WO-2001064223-A1 METHOD FOR TREATING OR PREVENTING DEPRESSION MERCK FROSST CANADA & CO. (CA) 2001-09-07 WO disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 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 (3 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-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor NOS2, NOS1, PDE3A PDE4A 14/4885PDE4D 45/4885PDE4B 13/4885
US-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A PDE4A 17/4885PDE4D 25/4885PDE4B 18/4885
US-20120184517-A1 TREATMENT OF DISEASES WITH ALTERED SMOOTH MUSCLE CONTRACTILITY MYLK, MYLK2, MYH10 PDE4A 31/4885PDE4D 88/4885PDE4B 54/4885

“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.