SCHEMBL3092882

SCHEMBL3092882

c1cc(OCC2CC2)ncc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.57
CHRNA4 P43681 6/20 0.57
LRRK2 Q5S007 1/20 0.45
ACACB O00763 3/20 0.44
HRH4 Q9H3N8 1/20 0.44
FLT3 P36888 1/20 0.41
KDM1A O60341 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL25197751 0.88 CHRNB2 (0.53) CHRNB2CHRNA4LRRK2ACACBHRH4
SCHEMBL20000567 0.87 CHRNB2 (0.47) CHRNB2CHRNA4LRRK2ACACBGPR119
SCHEMBL25193011 0.86 CHRNB2 (0.49) CHRNB2CHRNA4LRRK2ACACB
SCHEMBL25416857 0.84 CHRNB2 (0.50) CHRNB2CHRNA4LRRK2FLT3
SCHEMBL11978475 0.80 GPR119 (0.52) CHRNB2CHRNA4LRRK2ACACBGPR119
SCHEMBL788430 0.79 SIGMAR1 (0.56)
SCHEMBL31401416 0.77 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2617751 0.77 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25190945 0.77 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL3104363 0.77 CHRNB2 (0.60) CHRNB2CHRNA4ACACBFLT3CHRNB4

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 CHRNB2 4863/4885CHRNA4 4851/4885LRRK2 2997/4885

“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.