SCHEMBL10219334

SCHEMBL10219334

CCCC[C@@H]1CNCCN1c1nc2ccc(Cl)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.42

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
SCHEMBL10219327 1.00 NPC1 (0.49) NPC1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10219317 0.94 NPC1 (0.47) NPC1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10219319 0.94 NPC1 (0.47) NPC1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10219298 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219302 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219310 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219343 0.85 PPARD (0.47) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10219345 0.84 CYP2D6 (0.47) NPC1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10219347 0.84 CYP2D6 (0.47) NPC1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10221626 0.82 SCN4A (0.59) NPC1CYP2D6SLC6A2SLC6A4SLC6A3

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 2 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-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US 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 1742/4885CYP2D6 135/4885SLC6A2 2166/4885

“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.