SCHEMBL14769012

SCHEMBL14769012

O=C1CCC(c2ccccc2)n2cncc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP11B2 P19099 4/20 0.42
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP11B1 P15538 3/20 0.38
KCNH2 Q12809 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
SCHEMBL1932877 0.82 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1932876 0.82 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL24860259 0.72 HSP90AA1 (0.33) CYP19A1CYP11B2IDO1TDO2CYP3A4
SCHEMBL14769100 0.72 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2790501 0.70 IDO1 (0.48) CYP11B2IDO1TDO2CYP3A4
SCHEMBL741402 0.61 CYP11B2 (0.43) CYP19A1CYP11B2MEN1KMT2ACYP11B1
SCHEMBL18366270 0.61 CHRM2 (0.47) L3MBTL1KDM4ECYP3A4THRBTSHR
SCHEMBL20646025 0.61 CHRM2 (0.47) L3MBTL1KDM4ECYP3A4THRBTSHR
SCHEMBL13225803 0.61 KDM4E (0.66) L3MBTL1KDM4ECYP3A4THRBTSHR
SCHEMBL11708369 0.61 KDM4E (0.66) L3MBTL1KDM4ECYP3A4THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 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 (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-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP19A1 58/4885L3MBTL1 4840/4885CYP11B2 3/4885

“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.