SCHEMBL3985778

SCHEMBL3985778

CN(C)C(=O)c1ccc(-c2ccc(CNC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTR5A P47898 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GPR119 Q8TDV5 4/20 0.41
TP53 P04637 1/20 0.41
CXCR4 P61073 1/20 0.40
ALOX15 P16050 2/20 0.40
DRD4 P21917 1/20 0.40
CYP3A4 P08684 1/20 0.40
MCHR1 Q99705 4/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL3984090 0.87 CXCR4 (0.42) NPC1RAB9ASMN1; SMN2TP53CXCR4
SCHEMBL3983576 0.84 LTA4H (0.40) NPC1RAB9ASMN1; SMN2HTR5ACYP2D6
SCHEMBL3980484 0.83 GPR119 (0.45) NPC1RAB9ASMN1; SMN2HTR5ACYP2D6
SCHEMBL3981387 0.83 GPR119 (0.44) GPR119
SCHEMBL3983148 0.82 GPR119 (0.47) NPC1RAB9ASMN1; SMN2GPR119TP53
SCHEMBL3983572 0.81 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HTR5ATP53
SCHEMBL3984556 0.78 KDM1A (0.47) CXCR4DRD4HPGDS
SCHEMBL3981182 0.76 GPR119 (0.42) NPC1RAB9ASMN1; SMN2HTR5AGPR119
SCHEMBL5086233 0.75 GPR119 (0.52) GPR119
SCHEMBL3984151 0.75 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTR5AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 NPC1 597/4885RAB9A 1324/4885SMN1; SMN2 3079/4885

“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.