SCHEMBL4512387

SCHEMBL4512387

O=C(OCc1ccccc1)N1CCCC(N2CCCC2=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TMEM97 Q5BJF2 7/20 0.49
SIGMAR1 Q99720 7/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 2/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL12815027 0.97 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21209423 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21193542 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21209410 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL18032527 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23187621 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL6969799 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21041191 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL31435518 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL20986848 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 4487/4885NPC1 286/4885RAB9A 3524/4885

“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.