SCHEMBL4985322

SCHEMBL4985322

NC(=O)CCC[CH]c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 2/20 0.41
NPC1 O15118 2/20 0.41
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GRIK1 P39086 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5330368 0.81 TBXAS1 (0.41) HSD17B10CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL2675925 0.79 HSD17B10 (0.48) HSD17B10CYP2C9CYP2C19CYP1A2NPC1
SCHEMBL8936182 0.76 HSD17B10 (0.44) HSD17B10CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL4986436 0.76 TBXAS1 (0.47) CYP2C19CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL16649688 0.75 CYP2C9 (0.51) HSD17B10CYP2C9CYP2C19CYP1A2NPC1
SCHEMBL7916077 0.74 TBXAS1 (0.46) CYP2C19CYP1A2MAPTKDM4ELMNA
SCHEMBL16680947 0.74 CYP1A2 (0.45) HSD17B10CYP2C9CYP2C19CYP1A2NPC1
SCHEMBL4990558 0.74 TBXAS1 (0.46) CYP2C19CYP1A2MAPTKDM4ELMNA
SCHEMBL8116628 0.72 KCNH2 (0.45) HSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL7708213 0.72 HSD17B10 (0.44) HSD17B10CYP1A2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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 (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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 HSD17B10 692/4885CYP2C9 949/4885CYP2C19 1142/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 HSD17B10 692/4885CYP2C9 949/4885CYP2C19 1142/4885

“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.