SCHEMBL334014

SCHEMBL334014

COCOc1c(C)cccc1CN1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
NPC1 O15118 10/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PPARD Q03181 2/20 0.48
GALR3 O60755 1/20 0.46
GAA P10253 1/20 0.46
NR2F2 P24468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
PPARG P37231 1/20 0.43
MGLL Q99685 1/20 0.42
CNR2 P34972 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
SCHEMBL335651 0.81 PPARD (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10219497 0.81 PPARD (0.55) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10219493 0.79 PPARD (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27748074 0.79 NPC1 (0.54) RAB9ANPC1MAPTSMN1; SMN2PPARD
SCHEMBL10219494 0.78 PPARD (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14143793 0.76 RAB9A (0.59) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14143664 0.75 NPC1 (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10219649 0.75 NPC1 (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10219419 0.74 PPARD (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10219612 0.74 PPARD (0.56) RAB9ANPC1MEN1KMT2AMAPT

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
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-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 RAB9A 1784/4885NPC1 1742/4885MEN1 4624/4885

“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.