SCHEMBL2564882

SCHEMBL2564882

FC(F)(F)c1ccc(Cl)c(OCC2CC2Nc2nccnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN8A Q9UQD0 3/20 0.32
▸ SCN10A Q9Y5Y9 3/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ TEAD1 P28347 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL2564884 1.00 SCD (0.49) SCDFFAR4LRRK2CNR1CNR2
SCHEMBL2563993 0.73 FFAR4 (0.45) SCDFFAR4HTR2ASLC6A4KCNH2
SCHEMBL2554491 0.72 SCD (0.68) SCD
Hydrochloric Acid SCHEMBL14689781 0.72 FFAR4 (0.44) SCDFFAR4HTR2ASLC6A4KCNH2
SCHEMBL2558060 0.66 SCD (1.00) SCD
SCHEMBL2561940 0.66 SLC6A4 (0.44) SCDSLC6A4SCN8ASCN10A
Hydrochloric Acid SCHEMBL1230448 0.65 SLC6A4 (0.43) SCDSLC6A4SCN8ASCN10A
SCHEMBL12287525 0.65 SCD (1.00) SCD
SCHEMBL10313330 0.62 MAP2K1 (0.51) SCDHTR2ASLC6A4SCN8ASCN10A
Hydrochloric Acid SCHEMBL10276018 0.62 MAP2K1 (0.50) SCDHTR2ASLC6A4SCN8ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560963-A1 DERIVATIVES OF NITROGEN HETEROCYCLES, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN THERAPY Pierre Fabre Médicament (FR) 2013-02-27 — — EP claimed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — US claimed
WO-2011131593-A1 DERIVATIVES OF NITROGEN HETEROCYCLES, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2011-10-27 — — WO claimed
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 — — EP disclosed
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 — — EP disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 — — US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 — — US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 — — US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — 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-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PRMT1, NNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SCD 4464/4885FFAR4 3719/4885LRRK2 2640/4885

“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.

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