SCHEMBL1349924

SCHEMBL1349924

Clc1cc2c(cc1Cn1ccnc1C(c1ccccc1)c1ccccc1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ADORA2A P29274 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
DRD3 P35462 2/20 0.39
OPRL1 P41146 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC22A12 Q96S37 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
SCHEMBL6161550 0.82 CYP2D6 (0.53) ADORA2ACYP2D6CYP2C19TSHRHIF1A
SCHEMBL6582037 0.80 BRD4 (0.45) TP53THRBADORA2AOPRM1OPRD1
SCHEMBL7501419 0.75 KCNH2 (0.44) ADORA2AKMT2AMEN1SLC22A12LMNA
SCHEMBL5852468 0.72 CYP1A2 (0.56) CYP2D6CYP2C19KMT2AMEN1CYP1A2
SCHEMBL6159202 0.71 KCNH2 (0.48) ADORA2ASLC22A12
SCHEMBL6577691 0.68 MEN1 (0.43) TP53KMT2AMEN1ALDH1A1NPSR1
SCHEMBL1349653 0.67 KMT2A (0.45) SIGMAR1CYP2D6CYP2C19KMT2ACYP1A2
SCHEMBL1349511 0.67 CYP11B1 (0.45) CYP2D6CYP2C19KMT2ACYP1A2LMNA
SCHEMBL1347052 0.67 CYP1A2 (0.70) OPRD1OPRK1SIGMAR1CYP2D6CYP2C19
SCHEMBL1347141 0.67 ALDH1A1 (0.48) TP53OPRM1OPRK1DRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US claimed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US claimed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
EP-2139489-A2 MINERALOCORTICOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO disclosed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 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-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 TP53 4852/4885THRB 129/4885ADORA2A 629/4885

“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.