SCHEMBL5598718

SCHEMBL5598718

O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OOC4)c3cc([N+](=O)[O-])ccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
PDE5A O76074 5/20 0.51
PDE2A O00408 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51
RHOA P61586 1/20 0.49
HRH4 Q9H3N8 4/20 0.45
TDP1 Q9NUW8 1/20 0.42
CTNNB1 P35222 7/20 0.41
TCF7L2 Q9NQB0 7/20 0.41
PIN1 Q13526 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL6031648 0.87 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9095949 0.86 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL146298 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7417021 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7424627 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7914747 0.76 PDE5A (0.55) PDE5ATDP1
SCHEMBL7914801 0.73 PDE5A (0.55) PDE5APDE2A
SCHEMBL149748 0.73 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
Hydrochloric Acid SCHEMBL7502602 0.72 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5917668 0.72 PDE4A (0.98) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions COMBINATORX, INCORPORATED (US) 2007-09-27 US disclosed
US-20030207852-A1 Treatment of female sexual dysfunction PLACE VIRGIL A (US) 2003-11-06 US disclosed
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 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-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions TNF, PYGM, IL6 PDE4A 458/4885PDE4B 709/4885PDE4C 471/4885

“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.