SCHEMBL333717

SCHEMBL333717

OC1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 7/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPT P10636 2/20 0.64
CNR2 P34972 1/20 0.55
POLB P06746 1/20 0.53
TP53 P04637 2/20 0.52
MITF O75030 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PPARG P37231 4/20 0.51
PPARD Q03181 4/20 0.51
PPARA Q07869 3/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL1094085 0.92 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL1094083 0.92 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL29293351 0.86 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL334720 0.86 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL10219837 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL10219814 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL334455 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL14143866 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL24329835 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL335645 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
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-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
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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.