SCHEMBL4845544

SCHEMBL4845544

O=C1Nc2ccc(Br)c3c2C(CCC3)O1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL4847795 0.73 MAPT (0.40) NPC1MAPT
SCHEMBL29054978 0.67 GRIA1 (0.32) IL1RNERAP2ERAP1
SCHEMBL8983390 0.66 HTR2A (0.30) —
SCHEMBL5124908 0.66 NR3C1 (0.30) —
SCHEMBL5111692 0.64 PDE3B (0.34) —
SCHEMBL20572162 0.61 GRIA1 (0.35) ALDH1A1POLBKMT2A
SCHEMBL5112202 0.61 ABCC9 (0.34) —
SCHEMBL15464043 0.58 NPC1 (0.36) IL1RNERAP2ERAP1NPC1MAPT
SCHEMBL5119353 0.58 CA2 (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL21585257 0.58 IL1RN (0.31) IL1RNERAP2ERAP1

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 2 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 disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 — — 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 IL1RN 692/4885ERAP2 1502/4885ERAP1 1929/4885

“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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