SCHEMBL4474884

SCHEMBL4474884

Cc1oc(C2CCCC2)nc1CCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
PPARD Q03181 1/20 0.43
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CYP2C19 P33261 2/20 0.30
ADCY1 Q08828 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4484815 0.98 PPARG (0.45) PPARGPPARAPPARDJAK2JAK1
SCHEMBL4887797 0.87 PPARG (0.35) PPARGPPARAPPARDALDH1A1
SCHEMBL10810549 0.86 PPARG (0.40) PPARGPPARAPPARDJAK2JAK1
SCHEMBL9097721 0.85 PPARG (0.42) PPARGPPARAPPARDJAK2JAK1
SCHEMBL5558839 0.78 PPARG (0.39) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL10807845 0.78 KDM4E (0.47) PPARGPPARAPPARDNPC1DGAT2
SCHEMBL10810604 0.76 PPARG (0.46) PPARGPPARAPPARDNPC1DGAT2
SCHEMBL5116467 0.76 PPARG (0.46) PPARGPPARAPPARDNPC1DGAT2
SCHEMBL5557196 0.75 PPARG (0.38) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL15326810 0.73 GPR4 (0.34) PPARGPPARAPPARDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R PPARG 6/4885PPARA 7/4885PPARD 15/4885

“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.