SCHEMBL2563993

SCHEMBL2563993

NC1CC1COc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ SCD O00767 7/20 0.42
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ PPARA Q07869 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
Hydrochloric Acid SCHEMBL14689781 0.99 FFAR4 (0.44) FFAR4KDM1ASCDMRGPRX4FFAR1
SCHEMBL2561940 0.77 SLC6A4 (0.44) SCDSLC6A4
Hydrochloric Acid SCHEMBL1230448 0.76 SLC6A4 (0.43) SCDSLC6A4
SCHEMBL22809546 0.74 MRGPRX4 (0.43) SCDMRGPRX4HTR2ASLC6A4KCNH2
SCHEMBL2564884 0.73 SCD (0.49) FFAR4KDM1ASCDHTR2ASLC6A4
SCHEMBL2564882 0.73 SCD (0.49) FFAR4KDM1ASCDHTR2ASLC6A4
SCHEMBL10313330 0.73 MAP2K1 (0.51) KDM1ASCDHTR2ASLC6A4
SCHEMBL9450780 0.73 MGLL (0.45) FFAR4SCDMRGPRX4FFAR1KCNH2
Hydrochloric Acid SCHEMBL10276018 0.72 MAP2K1 (0.50) KDM1ASCDHTR2ASLC6A4
SCHEMBL3737321 0.70 MRGPRX4 (0.45) SCDMRGPRX4HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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
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 disclosed
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 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 FFAR4 3719/4885KDM1A 983/4885SCD 4464/4885

“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.

Send feedback