SCHEMBL768741

SCHEMBL768741

CN1C(=O)Cc2c1ccc(-c1cncc(C(C)(C)O)c1)c2Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.39
CYP11B1 P15538 5/20 0.38
ACVRL1 P37023 9/20 0.37
ACVR1 Q04771 9/20 0.37
BMPR1A P36894 8/20 0.37
BMPR1B O00238 7/20 0.37
TGFBR1 P36897 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSPO P30536 1/20 0.35
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP19A1 P11511 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
CACNA1F O60840 1/20 0.34

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
SCHEMBL769387 0.83 LMNA (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL769240 0.82 CYP11B1 (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL749146 0.81 BMPR1A (0.40) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL769004 0.81 CYP11B2 (0.44) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL750894 0.81 BMPR1A (0.40) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL769604 0.81 CYP11B1 (0.40) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL16038968 0.80 ACVRL1 (0.38) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL769027 0.80 CYP11B2 (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A
SCHEMBL751165 0.79 CYP11B2 (0.49) CYP11B2CYP11B1LMNACYP19A1PARP10
SCHEMBL768678 0.79 CYP11B1 (0.50) CYP11B2CYP11B1ACVRL1ACVR1BMPR1A

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-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

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 CYP11B2 1/4885CYP11B1 2/4885ACVRL1 3179/4885
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 CYP11B2 3/4885CYP11B1 1/4885ACVRL1 950/4885

“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.