SCHEMBL2171955

SCHEMBL2171955

COc1ccc(-c2ccc3c(c2)CCC(=O)N3C)c2cc(C(F)(F)F)nn12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE3A Q14432 10/20 0.49
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL12436123 0.84 PDE4B (0.51) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2171150 0.84 PDE4B (0.46) PDE4BPDE3A
SCHEMBL2170456 0.81 PDE4B (0.50) PDE4BPDE3A
SCHEMBL12436121 0.81 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2170154 0.81 PDE4B (0.52) PDE4BPDE3A
SCHEMBL12513034 0.81 CYP11B1 (0.45) PDE3ACYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL2171205 0.80 PDE4B (0.54) PDE4BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2172407 0.80 CYP11B1 (0.45) PDE3ACYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL2170938 0.79 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2173222 0.79 PDE4B (0.54) PDE4BPDE3A

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-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP claimed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US claimed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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 (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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PDE4B 6/4885PDE3A 1/4885CYP11B1 89/4885

“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.