SCHEMBL5754753

SCHEMBL5754753

CN(CC=Cc1ccccc1)Cc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.55
KCNH2 Q12809 2/20 0.54
NR1I2 O75469 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
CNR1 P21554 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRK1 P41145 1/20 0.54
SLC6A3 Q01959 1/20 0.54
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL5754749 1.00 LSS (0.55) LSSKCNH2NR1I2DRD2ADRA2C
SCHEMBL9779266 0.89 NR1I2 (0.60) LSSKCNH2NR1I2DRD2ADRA2C
SCHEMBL5752211 0.82 KCNH2 (0.62) LSSKCNH2BCHEACHE
SCHEMBL5752214 0.82 KCNH2 (0.62) LSSKCNH2BCHEACHE
SCHEMBL28917084 0.81 G6PC1 (0.42) LSSOPRK1MEN1KMT2AMAOA
SCHEMBL5426277 0.79 HTR2A (0.60) KCNH2NR1I2DRD2ADRA2CCNR1
SCHEMBL5426275 0.79 HTR2A (0.60) KCNH2NR1I2DRD2ADRA2CCNR1
SCHEMBL6711976 0.78 NAMPT (0.53) LSSKCNH2NR1I2DRD2ADRA2C
SCHEMBL6711978 0.78 NAMPT (0.53) LSSKCNH2NR1I2DRD2ADRA2C
SCHEMBL19249860 0.77 KCNH2 (0.70) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387841-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE THEREOF AS FUNGICIDES AVENTIS PHARMA SA (FR) 2006-03-08 EP disclosed
US-6960600-B2 Azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2005-11-01 US disclosed
US-6946460-B2 Azole or triazole derivatives, method for preparing same and use thereof as fungicides AVENTIS PHARMA S.A. (FR) 2005-09-20 US disclosed
EP-1387837-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS ANTIFUNGAL MEDICINES AVENTIS PHARMA SA (FR) 2005-07-27 EP disclosed
US-20050043540-A1 Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides AVENTIS PHARMA S. A, (FR) 2005-02-24 US disclosed
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2004-09-30 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 (2 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-20050043540-A1 Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides CYP1A2, CYP1B1, CYP21A2 LSS 150/4885KCNH2 1556/4885NR1I2 50/4885
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments ERG28, CYP51A1, CYP3A7 LSS 37/4885KCNH2 3337/4885NR1I2 50/4885

“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.