SCHEMBL3333248

SCHEMBL3333248

O=C(O)N1CCN(c2ccc(OC3CCCC3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.48
LCAT P04180 1/20 0.43
FLT3 P36888 2/20 0.42
NAMPT P43490 4/20 0.41
HRH3 Q9Y5N1 7/20 0.40
AKR1C3 P42330 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3104288 0.83 GPR119 (0.57) ACACB
SCHEMBL20000628 0.82 ACACB (0.47) ACACBLCATNAMPTHRH3
SCHEMBL3104363 0.79 CHRNB2 (0.60) ACACBLCATFLT3HRH3
SCHEMBL16769749 0.79 ACACB (0.57) ACACBLCATNAMPTHRH3
SCHEMBL21807903 0.77 PIK3CA (0.49) ACACBAKR1C3
SCHEMBL16695268 0.75 NOTUM (0.55) ACACB
SCHEMBL4056560 0.75 DGAT1 (0.47) NAMPT
SCHEMBL16973181 0.75 NAMPT (0.45) NAMPT
SCHEMBL5318377 0.75 MMP1 (0.52) NAMPTHRH3
SCHEMBL4107104 0.75 LIPE (0.49) NAMPTHRH3

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-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

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 ACACB 4694/4885LCAT 637/4885FLT3 327/4885

“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.