SCHEMBL748571

SCHEMBL748571

Brc1cncc(C2CCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL17161183 0.85 POLB (0.31) POLBHCAR2SMYD3
SCHEMBL744158 0.84 TSHR (0.37) CHRNB2CHRNA4POLBHCAR2SMYD3
SCHEMBL30858980 0.82 POLB (0.30) POLBHCAR2
SCHEMBL27996891 0.81 DRD2 (0.48)
SCHEMBL31407244 0.79 SMYD3 (0.35) CHRNB2CHRNA4POLBHCAR2SMYD3
SCHEMBL30132809 0.78 CYP11B1 (0.43) CHRNB2CHRNA4POLBHCAR2CHRNB4
SCHEMBL1356433 0.78 CYP11B1 (0.43) CHRNB2CHRNA4POLBHCAR2CHRNB4
SCHEMBL29021155 0.77 DRD2 (0.30)
SCHEMBL25112059 0.77 CYP2A6 (0.46) CHRNB2CHRNA4HCAR2SMYD3CHRNB4
SCHEMBL17161107 0.77 NPC1 (0.32) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023036217-A1 ACRYLAMIDE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-03-16 WO disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
EP-2430011-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CHRNB2 3126/4885CHRNA4 2725/4885POLB 1534/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CHRNB2 757/4885CHRNA4 1626/4885POLB 2259/4885

“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.