SCHEMBL2172407

SCHEMBL2172407

COc1ccc(-c2ccc3c(c2)CCC(=O)N3C)c2c(Cl)c(C(F)(F)F)nn12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.45
CYP11B2 P19099 19/20 0.45
CYP1A2 P05177 2/20 0.45
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL12513034 0.90 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL12436146 0.85 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2PDE3A
SCHEMBL2216271 0.82 MEN1 (0.39) PDE3A
SCHEMBL12436151 0.82 HSD17B1 (0.42) PDE3A
SCHEMBL2173568 0.81 KIF11 (0.46) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL2171955 0.80 PDE4B (0.49) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL12436144 0.77 PDE4B (0.33) PDE3A
SCHEMBL2172816 0.76 PDE4B (0.35) PDE3A
SCHEMBL2171854 0.74 F11 (0.36) PDE3A
SCHEMBL2216527 0.73 PRMT5 (0.35) PDE3A

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 3 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 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 CYP11B1 89/4885CYP11B2 63/4885CYP1A2 171/4885

“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.