SCHEMBL3047102

SCHEMBL3047102

Fc1cc(C2OCCO2)cc(F)c1Br

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
KDM1B Q8NB78 2/20 0.48
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 2/20 0.32

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
SCHEMBL20083542 0.82 CYP11B1 (0.37) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL14308046 0.78 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL15985674 0.78 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL24216109 0.78 KDM1A (0.53) KDM1AKDM1BCYP11B1CYP11B2MEN1
SCHEMBL3048910 0.77 MEN1 (0.40) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL31371281 0.76 KDM1A (0.40) KDM1AKDM1B
SCHEMBL7851198 0.75 KDM1A (0.39) KDM1AKDM1B
SCHEMBL7851201 0.75 KDM1A (0.39) KDM1AKDM1B
SCHEMBL3564666 0.75 CCNB2 (0.31)
SCHEMBL6867644 0.74 MEN1 (0.43) KDM1ACYP11B1CYP11B2MEN1KMT2A

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 KDM1A 4009/4885KDM1B 3916/4885CYP11B1 1358/4885

“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.