SCHEMBL973493

SCHEMBL973493

Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.55
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GBA1 P04062 1/20 0.51
NPY2R P49146 1/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL975638 0.86 MAPT (0.53) SCDMEN1KMT2ALMNAALDH1A1
SCHEMBL2466841 0.81 SCD (0.61) SCDMAPK1USP2SMN1; SMN2GBA1
SCHEMBL4910844 0.78 SCD (0.57) SCDMAPK1MEN1KMT2AUSP2
SCHEMBL1842256 0.78 LMNA (0.62) MAPK1MEN1KMT2AUSP2SMN1; SMN2
SCHEMBL27657963 0.78 SCD (0.60) SCDMAPK1MEN1KMT2AUSP2
SCHEMBL5822275 0.78 SCD (0.52) SCDMAPK1MEN1KMT2AUSP2
SCHEMBL5821738 0.77 SCD (0.49) SCDMAPK1MEN1KMT2AUSP2
SCHEMBL2466840 0.77 SCD (0.67) SCD
SCHEMBL27722326 0.76 P2RX7 (0.53) SCDSMN1; SMN2GBA1NPY2RTSHR
SCHEMBL5821442 0.76 MAPK1 (0.55) SCDMAPK1MEN1KMT2AUSP2

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-20110009414-A9 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-01-13 US disclosed
US-20090291957-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-11-26 US disclosed
US-7547698-B2 Bicyclic heterocyclic derivatives and their use as inhibitors of stearoyl-coadesaturase (SCD) XENON PHARMACEUTICALS INC. (CA) 2009-06-16 US disclosed
US-20070219211-A1 Bicyclic Heterocyclic Derivatives and Their Use as Inhibitors of Stearoyl-Coadesaturase (Scd) XENON PHARMACEUTICALS INC. (CA) 2007-09-20 US disclosed
EP-1804792-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS INHIBITORS OF STEAROYL-COA-DESATURASE (SCD) XENON PHARMACEUTICALS INC. (CA) 2007-07-11 EP disclosed
WO-2006034312-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS INHIBITORS OF STEAROYL-COA-DESATURASE (SCD) XENON PHARMACEUTICALS INC. (CA) 2006-03-30 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 (3 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-20110009414-A9 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS CCNY, SNRPD2, SNRPD3 SCD 10/4885MAPK1 4102/4885MEN1 3195/4885
US-20090291957-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS CCNY, SNRPD2, SNRPD3 SCD 10/4885MAPK1 4102/4885MEN1 3195/4885
US-20070219211-A1 Bicyclic Heterocyclic Derivatives and Their Use as Inhibitors of Stearoyl-Coadesaturase (Scd) SCD, SCD5, ECHS1 SCD 1/4885MAPK1 4495/4885MEN1 4613/4885

“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.