SCHEMBL5103050

SCHEMBL5103050

COc1ccc(F)cc1-c1ccc2c(c1)COC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.47
▸ CYP11B2 P19099 2/20 0.47
▸ NR3C1 P04150 6/20 0.44
▸ PGR P06401 5/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ TDP2 O95551 2/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ APP P05067 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL31261247 0.79 CYP11B1 (0.51) CYP11B1CYP11B2PGRNR3C2PDE3B
SCHEMBL6606966 0.72 PDE3B (0.56) CYP11B1CYP11B2PGRPDE3BPDE3A
SCHEMBL19187758 0.71 CYP11B1 (0.60) CYP11B1CYP11B2PGRPDE3BPDE3A
SCHEMBL26654693 0.70 HTR2A (0.44) CYP11B1CYP11B2
SCHEMBL26463429 0.68 CYP11B1 (0.64) CYP11B1CYP11B2PDE3BPDE3AABL1
SCHEMBL30494231 0.68 CYP11B1 (0.64) CYP11B1CYP11B2PDE3BPDE3AABL1
SCHEMBL4596312 0.68 KIF11 (0.63) CYP11B1CYP11B2PDE3BPDE3ATDP2
SCHEMBL1897771 0.68 TDP2 (0.75) CYP11B1CYP11B2PGRPDE3BPDE3A
SCHEMBL24726055 0.68 CYP11B1 (0.50) CYP11B1CYP11B2PDE3BPDE3ACREBBP
SCHEMBL10915997 0.67 CYP3A4 (0.44) CYP11B1CYP11B2

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
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 — — US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 — — US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 — — 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CYP11B1 4610/4885CYP11B2 4446/4885NR3C1 3957/4885

“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.

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