SCHEMBL3102728

SCHEMBL3102728

c1cc(OCCN2CCOCC2)ncc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.51
▸ CHRNA4 P43681 3/20 0.51
▸ SIGMAR1 Q99720 6/20 0.48
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTR2B P41595 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ TIPARP Q7Z3E1 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
SCHEMBL21659595 0.83 NPC1 (0.58) SIGMAR1KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2866474 0.78 TSHR (0.65) SIGMAR1PDE3BPDE3AKCNH2HTR2B
SCHEMBL3104417 0.78 CHRNB2 (0.60) CHRNB2CHRNA4SIGMAR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4926341 0.77 ALDH1A1 (0.55) SIGMAR1PDE3BPDE3AKCNH2HTR2B
SCHEMBL3112135 0.77 SIGMAR1 (0.45) SIGMAR1PDE3BPDE3AHTR2B
SCHEMBL23855522 0.76 HRH3 (0.65) SIGMAR1KCNH2CYP1A2HTR2BTSHR
SCHEMBL3332134 0.76 GPR119 (0.58) HSP90AA1HSP90AB1CYP2C19TSHRTLR9
SCHEMBL55617 0.76 SIGMAR1 (0.48) SIGMAR1TSHR
SCHEMBL29036808 0.76 ATM (0.51) SIGMAR1HSP90AA1HSP90AB1TSHR
SCHEMBL3337028 0.76 TSHR (0.56) SIGMAR1TSHR

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 4851/4885SIGMAR1 3742/4885

“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.

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