SCHEMBL10219277

SCHEMBL10219277

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.48
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
POLB P06746 1/20 0.41

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
SCHEMBL10219282 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPPARG
SCHEMBL10219276 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPPARG
SCHEMBL19617714 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219298 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219310 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219302 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219319 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219317 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219283 0.82 PPARD (0.51) PPARGPPARDPPARA
SCHEMBL10219295 0.82 PPARD (0.51) PPARGPPARDPPARA

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.