SCHEMBL6052153

SCHEMBL6052153

COc1ccc(C2CNC(=O)C2)c(OC2CC=CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
PDE4A P27815 14/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
CYP3A4 P08684 2/20 0.47
VEGFA P15692 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CREBBP Q92793 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE5A O76074 1/20 0.47
TNF P01375 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PDE1A P54750 1/20 0.47

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
SCHEMBL6907670 0.88 PDE4A (0.62) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL3551313 0.79 MTNR1A (0.67) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL19559337 0.78 MTNR1A (0.66) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL18117796 0.78 MTNR1A (0.66) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL3546305 0.77 MTNR1A (0.55) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL18117787 0.77 MTNR1A (0.64) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL18117756 0.77 MTNR1A (0.64) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL19559348 0.77 MTNR1A (0.64) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL19559399 0.77 MTNR1A (0.64) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL3893558 0.75 PDE4A (0.64) MTNR1APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620083-A2 COMBINATION THERAPIES Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP disclosed
EP-1505972-A2 A SELECTIVE INOS INHIBITOR AND A PDE INHIBITOR IN COMBINATION FOR THE TREATMENT OF RESPIRATORY DISEASES Pharmacia Corporation (US) 2005-02-16 EP disclosed
WO-2004091596-A2 COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 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
WO-2003097050-A2 A SELECTIVE INOS INHIBITOR AND A PDE INHIBITOR IN COMBINATION FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMACIA CORPORATION (US) 2003-11-27 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 (2 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 MTNR1A 577/4885PDE4A 14/4885PDE4B 13/4885
US-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A MTNR1A 31/4885PDE4A 17/4885PDE4B 18/4885

“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.