SCHEMBL2817709

SCHEMBL2817709

CC1(C)Cc2ccccc2[C@@H]1n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.46
CYP11B2 P19099 2/20 0.36
TBXAS1 P24557 1/20 0.36
CYP11B1 P15538 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1B P35368 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP17A1 P05093 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL2817712 1.00 CYP19A1 (0.46) CYP19A1CYP11B2TBXAS1CYP11B1ADRA2A
SCHEMBL2818454 1.00 CYP19A1 (0.46) CYP19A1CYP11B2TBXAS1CYP11B1ADRA2A
SCHEMBL842758 0.77 CYP19A1 (0.44) CYP19A1CYP3A4
SCHEMBL10703837 0.77 CYP19A1 (0.41) CYP19A1CYP11B2TBXAS1ADRA1BCYP17A1
SCHEMBL2824079 0.76 CYP19A1 (0.43) CYP19A1
SCHEMBL2818060 0.76 CYP19A1 (0.43) CYP19A1
SCHEMBL6525524 0.72 CYP3A4 (0.33) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL10517236 0.72 ADRA2A (0.36) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2822510 0.71 CYP19A1 (0.54) CYP19A1CYP11B2CYP3A4
SCHEMBL2822126 0.71 CYP19A1 (0.46) CYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP19A1 11/4885CYP11B2 6/4885TBXAS1 510/4885

“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.