SCHEMBL3098995

SCHEMBL3098995

CC(C)(C)OC(=O)N1CCN(c2ccc(OCC3CC3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.63
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
WNT3A P56704 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SYK P43405 1/20 0.47
ACACB O00763 1/20 0.46
TGFBR1 P36897 1/20 0.46

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
SCHEMBL25187224 0.90 GPR119 (0.60) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL1092884 0.89 GPR119 (0.61) GPR119
SCHEMBL30893592 0.89 GPR119 (0.56) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL25187253 0.89 GPR119 (0.56) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL30893599 0.87 GPR119 (0.54) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL25437976 0.87 GPR119 (0.54) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL14426348 0.84 GPR119 (0.51) GPR119KMT2A
SCHEMBL30947672 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL2120938 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAWNT3A
SCHEMBL25195794 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAWNT3A

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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 GPR119 1356/4885MAPT 222/4885ALDH1A1 1486/4885

“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.