SCHEMBL5111692

SCHEMBL5111692

CC1OC(=O)Nc2ccc(Br)c(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ HTR1A P08908 2/20 0.32
▸ HTR1D P28221 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HTR5A P47898 2/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL5112202 0.81 ABCC9 (0.34) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL5124908 0.77 NR3C1 (0.30) —
SCHEMBL5119353 0.75 CA2 (0.35) PGR
SCHEMBL5111570 0.74 HTR5A (0.46) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL5114291 0.71 CNR1 (0.35) PARP1PGR
SCHEMBL5127168 0.69 PDE3B (0.39) PDE3BPDE3ABRD4PGR
SCHEMBL31180367 0.68 HTR2A (0.37) PDE3BPDE3AHTR2C
SCHEMBL5115070 0.68 PGR (0.47) PGR
SCHEMBL19805150 0.68 PDE3B (0.42) PDE3BPDE3ABRD4PGR
SCHEMBL17713690 0.66 HTR2C (0.35) PDE3BPDE3AHTR1AHTR1DHTR2C

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-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 — — 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-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES NR3C2, MC2R, NR3C1 PDE3B 608/4885PDE3A 672/4885HTR1A 766/4885

“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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