SCHEMBL3760978

SCHEMBL3760978

CC1CNCCN1c1nc(-c2ccccc2)ns1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 3/20 0.41
DPP4 P27487 1/20 0.41
FAAH O00519 8/20 0.40
ROCK1 Q13464 2/20 0.39
GSK3B P49841 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LATS1 O95835 1/20 0.38
CNR2 P34972 1/20 0.38

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 SCHEMBL3764619 0.99 NPC1 (0.41) NPC1RAB9AHTR2CDPP4FAAH
SCHEMBL532234 0.76 FAAH (0.55) NPC1RAB9ADPP4FAAH
SCHEMBL3761077 0.74 NPC1 (0.52) NPC1RAB9AFAAHCNR2
SCHEMBL2007027 0.72 FAAH (0.51) NPC1RAB9ADPP4FAAHCNR2
SCHEMBL27471290 0.72 SLC6A2 (0.48) HTR2CGSK3B
SCHEMBL4885307 0.71 PIM1 (0.47) RAB9AHTR2CGSK3BLATS1
SCHEMBL4881229 0.71 PIM1 (0.47) RAB9AHTR2CGSK3BLATS1
SCHEMBL4881237 0.71 PIM1 (0.47) RAB9AHTR2CGSK3BLATS1
SCHEMBL8114282 0.71 RAB9A (0.46) NPC1RAB9ALATS1
SCHEMBL17884678 0.71 SLC6A2 (0.57) HTR2CROCK1

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
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 NPC1 1078/4885RAB9A 1416/4885HTR2C 181/4885

“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.