SCHEMBL8475732

SCHEMBL8475732

O=C(Nc1ccccn1)C1CNC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
PKM P14618 2/20 0.56
GAA P10253 1/20 0.53
GRM1 Q13255 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49

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 SCHEMBL30585989 0.98 NPC1 (0.54) NPC1RAB9APKMGAAGRM1
Hydrochloric Acid SCHEMBL21640960 0.98 NPC1 (0.54) NPC1RAB9APKMGAAGRM1
Trifluoroacetic Acid SCHEMBL4920824 0.90 NPC1 (0.50) NPC1RAB9APKMGAAGRM1
SCHEMBL16686677 0.88 RAB9A (0.53) NPC1RAB9APKMGAAGRM1
SCHEMBL3671286 0.86 HPGD (0.65) NPC1RAB9APKMGAAGRM1
SCHEMBL30355896 0.86 HPGD (0.65) NPC1RAB9APKMGAAGRM1
SCHEMBL2475102 0.86 RAB9A (0.56) NPC1RAB9APKMGAAGRM1
Hydrochloric Acid SCHEMBL27396506 0.84 RAB9A (0.55) NPC1RAB9APKMGAAGRM1
SCHEMBL1515418 0.83 RAB9A (0.60) NPC1RAB9APKMGAAGRM1
SCHEMBL27488421 0.83 RAB9A (0.63) NPC1RAB9APKMGAAALDH1A1

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 NPC1 1122/4885RAB9A 2080/4885PKM 827/4885

“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.