SCHEMBL10219847

SCHEMBL10219847

OCCN1CCCN(c2nc3cc(F)c(C(F)(F)F)cc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 4/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
CNR2 P34972 1/20 0.39
KHK P50053 1/20 0.38
DRD2 P14416 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10219851 0.89 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL10219746 0.82 PPARG (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL10219983 0.80 PPARD (0.52) RAB9ANPC1SMN1; SMN2PPARGPPARD
SCHEMBL10220584 0.77 PPARD (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10219842 0.77 PPARG (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL10219375 0.77 SCN4A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL10220231 0.76 PPARD (0.59) PPARGPPARDPPARA
SCHEMBL10219374 0.76 SCN4A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL10219843 0.76 NPC1 (0.67) RAB9ANPC1SMN1; SMN2POLBCNR2
SCHEMBL10219481 0.75 PPARD (0.51) RAB9ASMN1; SMN2ALDH1A1MAPTLMNA

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 RAB9A 1784/4885NPC1 1742/4885SMN1; 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.