SCHEMBL4807841

SCHEMBL4807841

NC1CCC(CCCCCBr)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL4807846 1.00 SIGMAR1 (0.40) SIGMAR1KDM5AKDM7AKDM4CPHF8
Bromide SCHEMBL4807679 0.98 SIGMAR1 (0.39) SIGMAR1
Bromide SCHEMBL4807686 0.98 SIGMAR1 (0.39) SIGMAR1
SCHEMBL9085332 0.88 SIGMAR1 (0.42) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL10878863 0.88 SIGMAR1 (0.48) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL6949947 0.88 SIGMAR1 (0.42) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL4559904 0.88
SCHEMBL9225357 0.85
SCHEMBL431863 0.85 SIGMAR1 (0.44) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL11673856 0.85 SIGMAR1 (0.39) SIGMAR1KDM5AKDM7AKDM4CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885KDM5A 4086/4885KDM7A 3532/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885KDM5A 4086/4885KDM7A 3532/4885

“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.