SCHEMBL3200544

SCHEMBL3200544

COC(=O)c1cncn1C1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
MAPK1 P28482 1/20 0.43
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
OPRL1 P41146 1/20 0.38
BCHE P06276 2/20 0.37
P2RX7 Q99572 1/20 0.37
CYP19A1 P11511 2/20 0.37
ACHE P22303 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP11B1 P15538 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FAAH O00519 2/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL3190003 0.91 MAPK1 (0.47) CYP11B2MAPK1BCHECYP19A1ACHE
SCHEMBL2817700 0.79 CYP11B2 (0.43) CYP11B2MAPK1CYP19A1ALDH1A1
SCHEMBL9493247 0.79 CYP11B2 (0.43) CYP11B2MAPK1CYP19A1ALDH1A1
SCHEMBL9493435 0.79 CYP11B2 (0.43) CYP11B2MAPK1CYP19A1ALDH1A1
SCHEMBL9493929 0.78 IDO1 (0.42) CYP11B2MAPK1
SCHEMBL13486050 0.78 CYP11B2 (0.53) CYP11B2MAPK1BCHECYP19A1CYP11B1
SCHEMBL11401439 0.76 ALDH1A1 (0.42) CYP11B2MAPK1CYP11B1ALDH1A1
SCHEMBL3188605 0.75 MAPK1 (0.44) CYP11B2MAPK1MTNR1ACYP11B1ALDH1A1
SCHEMBL3493755 0.74 CYP11B2 (0.50) CYP11B2MTNR1AMTNR1BOPRL1GRIN2B
SCHEMBL3201410 0.73 KDM4A (0.42) CYP11B2MTNR1AMTNR1BOPRL1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 US disclosed
US-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 US disclosed
US-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 US disclosed
EP-2094669-A2 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076862-A2 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076862-A2 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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 (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-20100041722-A1 ORGANIC COMPOUNDS CYP11B1, CYP11B2, CYP21A2 CYP11B2 2/4885MAPK1 1447/4885MTNR1A 570/4885

“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.