SCHEMBL2171190

SCHEMBL2171190

COc1ccc(-c2ccc3c(c2)CCC(=O)N3)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.51
CYP11B2 P19099 7/20 0.51
CYP19A1 P11511 4/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
CYP1A2 P05177 2/20 0.49
TBXAS1 P24557 1/20 0.49
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MMP12 P39900 1/20 0.42
RAB9A P51151 1/20 0.42
GLO1 Q04760 1/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CRBN Q96SW2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2170525 0.90 GRIA1 (0.49) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL2171777 0.81 PDE3A (0.52) CYP11B1CYP11B2CYP19A1CYP2C9CYP2D6
SCHEMBL12479305 0.76 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP2C9CYP2D6
SCHEMBL2172288 0.73 GLO1 (0.43) CYP11B1CYP11B2CYP19A1PDE3BPDE3A
SCHEMBL12479229 0.72 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP2C9CYP2D6
SCHEMBL2170629 0.72 DYRK1A (0.44) CYP11B1CYP11B2CYP19A1CYP1A2NPC1
SCHEMBL2171957 0.72 GLO1 (0.43) GLO1
SCHEMBL12566143 0.71 GLO1 (0.55) GLO1ALDH1A1
SCHEMBL2171073 0.71 PDE3A (0.53) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL8041159 0.71 CKS1B (0.52) GLO1ALDH1A1

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 5 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
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 CYP11B1 89/4885CYP11B2 63/4885CYP19A1 180/4885

“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.