SCHEMBL10219843

SCHEMBL10219843

OCCN1CCCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 5/20 0.58
POLB P06746 1/20 0.57
ACHE P22303 1/20 0.54
CNR2 P34972 2/20 0.54
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
PPARD Q03181 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 1/20 0.51
GALR3 O60755 1/20 0.50
GAA P10253 1/20 0.50
NR2F2 P24468 1/20 0.50

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
SCHEMBL5878608 0.95 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219821 0.89 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4637131 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219616 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219746 0.83 PPARG (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219598 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL23269717 0.82 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL24329835 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219629 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTPPARD
SCHEMBL10219622 0.80 NPC1 (0.56) 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.