SCHEMBL754134

SCHEMBL754134

CC(C)NC(=O)NCc1cncc(-c2ccc3c(c2)CC(=O)N3C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 19/20 0.54
ACVR1 Q04771 19/20 0.54
BMPR1A P36894 17/20 0.54
BMPR1B O00238 14/20 0.54
TGFBR1 P36897 9/20 0.54
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL769109 0.81 ACVRL1 (0.59) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL768711 0.80 ACVRL1 (0.56) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL768920 0.80 ACVRL1 (0.63) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL769094 0.79 ACVRL1 (0.66) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL14779842 0.78 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL777530 0.78 ACVRL1 (0.57) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL15869759 0.78 ACVRL1 (0.63) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL14779028 0.76 CYP11B2 (0.61) CYP11B1CYP11B2
SCHEMBL777270 0.75 ACVRL1 (0.56) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL768799 0.75 ACVRL1 (0.60) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ACVRL1 3179/4885ACVR1 2101/4885BMPR1A 4080/4885
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 ACVRL1 950/4885ACVR1 522/4885BMPR1A 2435/4885

“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.