SCHEMBL334186

SCHEMBL334186

COC(=O)c1cccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 7/20 0.55
MAPT P10636 3/20 0.53
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MGLL Q99685 1/20 0.52
MEN1 O00255 1/20 0.51
PPARD Q03181 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
SCHEMBL10219402 0.96 HCRTR1 (0.56) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219432 0.91 NPC1 (0.59) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219426 0.88 PPARD (0.55) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219411 0.87 PPARG (0.56) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219406 0.86 PPARD (0.62) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10219409 0.86 PPARG (0.55) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219421 0.85 NPC1 (0.55) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219427 0.85 PPARD (0.52) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219413 0.85 HCRTR1 (0.51) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219419 0.84 PPARD (0.54) NPC1RAB9AMAPTHCRTR1HCRTR2

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 9 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

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 1784/4885MAPT 4787/4885

“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.