SCHEMBL5112202

SCHEMBL5112202

CCC1OC(=O)Nc2ccc(Br)c(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 6/20 0.34
▸ KCNJ11 Q14654 6/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31

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
SCHEMBL5111692 0.81 PDE3B (0.34) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL5119433 0.77 HTR5A (0.47) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL5124908 0.73 NR3C1 (0.30) —
SCHEMBL5119353 0.71 CA2 (0.35) —
SCHEMBL5112467 0.71 NOTUM (0.37) BRD4
SCHEMBL5111338 0.71 PGR (0.45) BRD4CREBBP
SCHEMBL11208873 0.66 HTR5A (0.41) HTR5ABRD4CREBBP
SCHEMBL31180367 0.65 HTR2A (0.37) HTR2C
SCHEMBL5115070 0.65 PGR (0.47) —
SCHEMBL10952355 0.65 BRD4 (0.40) BRD4CREBBP

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 ABCC9 4682/4885KCNJ11 2171/4885HTR1A 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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