SCHEMBL3228923

SCHEMBL3228923

N#Cc1ccc(N2CCCNCC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.62
CHRNA4 P43681 16/20 0.62
CHEK1 O14757 1/20 0.48
CHRNA1 P02708 1/20 0.44
CHRNA7 P36544 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL718760 0.94 CHRNB2 (0.58) CHRNB2CHRNA4CHEK1DRD2DRD3
Hydrochloric Acid SCHEMBL1769584 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHEK1DRD2DRD3
Hydrochloric Acid SCHEMBL29882337 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHEK1DRD2DRD3
Hydrochloric Acid SCHEMBL23303948 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHEK1DRD2DRD3
Hydrochloric Acid SCHEMBL23303548 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHEK1DRD2DRD3
SCHEMBL27909230 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHEK1
SCHEMBL151047 0.86 MAPT (0.46) CHRNB2CHRNA4
SCHEMBL151160 0.84 MAPT (0.49) CHRNB2CHRNA4
SCHEMBL148390 0.84 MAPT (0.49) CHRNB2CHRNA4
SCHEMBL24989033 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHEK1DRD2DRD3

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 4851/4885CHEK1 2928/4885

“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.