SCHEMBL3108697

SCHEMBL3108697

O=C(O)N1CCN(c2cccc(OCc3ccccc3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SLC6A7 Q99884 1/20 0.46
ME2 P23368 2/20 0.45
ME1 P48163 2/20 0.45
ME3 Q16798 2/20 0.45
GRM5 P41594 3/20 0.45
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
PTGDR Q13258 1/20 0.43
ALOX12 P18054 1/20 0.43
ENPP2 Q13822 1/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL25224739 0.90 ENPP2 (0.53) HRH4ALDH1A1SLC6A7ME2ME1
SCHEMBL24265269 0.85 GPR119 (0.56)
SCHEMBL29574249 0.85 GPR119 (0.56)
SCHEMBL1263372 0.84 HRH4 (0.49) HRH4ALDH1A1HPGDKDM4ELMNA
SCHEMBL30440467 0.84 HRH4 (0.49) HRH4ALDH1A1HPGDKDM4ELMNA
SCHEMBL17869373 0.84 HRH4 (0.49) HRH4ALDH1A1GRM5HPGDKDM4E
SCHEMBL30440671 0.84 HRH4 (0.49) HRH4ALDH1A1GRM5HPGDKDM4E
SCHEMBL20280064 0.83 HRH4 (0.65) HRH4ALDH1A1HPGDKDM4ELMNA
SCHEMBL29491296 0.81 KDM2B (0.46) HRH4ALDH1A1HPGDKDM4EPTGDR
SCHEMBL3104344 0.80 HTR2C (0.57) HRH4ALDH1A1KDM4EHTTHSD17B10

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 HRH4 1901/4885ALDH1A1 1486/4885SLC6A7 2018/4885

“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.