SCHEMBL6036015

SCHEMBL6036015

CCn1cc(CC(=O)O)c(OCCCc2cn(-c3ccc(C(F)(F)F)cn3)nc2C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HDAC4 P56524 1/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
GCG P01275 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PANK3 Q9H999 1/20 0.32
ROCK2 O75116 1/20 0.32
POLB P06746 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL6036385 0.93 GCGR (0.35) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL1632906 0.90 GCGR (0.34) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL6036232 0.89 SMN1; SMN2 (0.40) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL6036296 0.88 HCRTR1 (0.36) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL6035725 0.87 HCRTR1 (0.35) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL6035747 0.86 KDM4E (0.36) GCGRSMN1; SMN2HPGDKDM4EHCRTR1
SCHEMBL1632555 0.86 GCGR (0.36) GCGRSMN1; SMN2HPGDKDM4EHDAC4
SCHEMBL6034569 0.84 PPARD (0.35) SMN1; SMN2HPGDKDM4EHCRTR1HCRTR2
SCHEMBL6035589 0.84 GCGR (0.36) GCGRSMN1; SMN2HPGDKDM4EHDAC4
SCHEMBL6035590 0.84 GCGR (0.36) GCGRSMN1; SMN2HPGDKDM4EHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 GCGR 93/4885SMN1; SMN2 4408/4885HPGD 3297/4885

“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.