SCHEMBL10219151

SCHEMBL10219151

C[C@H]1CN(c2nc3ccc(Cl)cc3s2)CCN1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.47
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL10219152 1.00 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219133 1.00 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219157 0.86 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219134 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10271881 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL19617818 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTHCRTR1
SCHEMBL19617634 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTHCRTR1
SCHEMBL19617607 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTHCRTR1
SCHEMBL10221242 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTHCRTR1
SCHEMBL10219184 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG NPC1 1742/4885RAB9A 1784/4885SMN1; SMN2 4505/4885

“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.