SCHEMBL4849545

SCHEMBL4849545

O=C1Nc2ccc(-c3cccc(C(F)(F)F)c3)c3c2C(CCC3)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ CBLB Q13191 2/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ PGR P06401 2/20 0.35
▸ AR P10275 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL5127168 0.74 PDE3B (0.39) PARP10PARP11NOTUMAKR1C3AKR1C2
SCHEMBL5112467 0.72 NOTUM (0.37) PARP10PARP11NOTUMAKR1C3AKR1C2
SCHEMBL5126113 0.70 PGR (0.40) PARP10PARP11NOTUMAKR1C3AKR1C2
SCHEMBL4845544 0.70 IL1RN (0.33) MEN1POLBKMT2AMAPT
SCHEMBL16193418 0.68 HTR1A (0.48) HTR1AHTR7PARP10PARP11NOTUM
SCHEMBL6320969 0.66 GSK3B (0.53) HTR1AHTR7PARP10PARP11PARP1
SCHEMBL5124648 0.65 PGR (0.47) PARP10PARP11NOTUMAKR1C3AKR1C2
SCHEMBL16201911 0.65 HTR1A (0.50) HTR1AHTR7PARP10PARP11NOTUM
SCHEMBL2744062 0.64 HTR1A (0.47) HTR1A
SCHEMBL5118641 0.63 PGR (0.44) HTR1AHTR7PARP10PARP11NOTUM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 — — US claimed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 — — US claimed
WO-2006023158-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2006-03-02 — — WO claimed
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 — — US disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 — — US disclosed
WO-2006023158-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2006-03-02 — — 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 HTR1A 563/4885HTR7 517/4885PARP10 3656/4885

“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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