SCHEMBL3201410

SCHEMBL3201410

COC(=O)c1cn(C2CCc3ccccc3C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CYP11B2 P19099 2/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRL1 P41146 1/20 0.38
GRIN2B Q13224 1/20 0.36
CHEK1 O14757 1/20 0.36
JAK2 O60674 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 4/20 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
SCHEMBL3205266 0.91 KDM4A (0.49) KDM4AKDM5AKDM4CKDM5BMEN1
SCHEMBL28935063 0.80 KDM5A (0.46) KDM5AMEN1KMT2ACDK5CDK5R1
SCHEMBL3198003 0.78 KDM4A (0.46) KDM4AKDM5AKDM4CKDM5BMEN1
SCHEMBL6950354 0.76 CYP11B2 (0.44) KDM4AKDM5AKDM4CKDM5BCYP11B2
SCHEMBL13406325 0.74 PLAT (0.45) KDM5AMEN1KMT2ACDK5CDK5R1
SCHEMBL3200544 0.73 CYP11B2 (0.43) CYP11B2MTNR1AMTNR1BOPRL1GRIN2B
SCHEMBL13486167 0.73 CYP11B2 (0.44) KDM4AKDM5AKDM4CKDM5BCYP11B2
SCHEMBL3493755 0.72 CYP11B2 (0.50) CYP11B2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8550973 0.70 GPR119 (0.51) JAK2ALDH1A1
SCHEMBL21063662 0.69 GPR119 (0.43) KDM5AJAK2ALDH1A1

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 5 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
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 KDM4A 2449/4885KDM5A 1613/4885KDM4C 2675/4885

“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.