SCHEMBL3602483

SCHEMBL3602483

c1ccc(-c2cnn(CCCN3CCOCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ACP1 P24666 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCC1 P33527 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
Oxalic Acid SCHEMBL3592144 0.94 USP2 (0.53) POLBLMNATDP1KDM4EALDH1A1
Oxalic Acid SCHEMBL3592150 0.94 USP2 (0.53) POLBLMNATDP1KDM4EALDH1A1
SCHEMBL29009117 0.93 LMNA (0.47) POLBSIGMAR1ACP1NPC1RAB9A
SCHEMBL467285 0.86 HRH3 (0.51) ACP1CYP1A2CYP2D6ACHEKCNH2
SCHEMBL3606647 0.86 HRH3 (0.51) ACP1CYP1A2CYP2D6ACHEKCNH2
SCHEMBL14760320 0.83 HRH3 (0.54) SIGMAR1ACP1KCNH2HRH3
Oxalic Acid SCHEMBL3598359 0.80 HRH3 (0.54) POLBNPC1RAB9ALMNACYP3A4
SCHEMBL3596667 0.80 CYP1A2 (0.56) SIGMAR1ACP1CYP1A2CYP2D6ACHE
SCHEMBL3600144 0.80 CYP1A2 (0.56) SIGMAR1ACP1CYP1A2CYP2D6ACHE
Oxalic Acid SCHEMBL3594974 0.77 HRH3 (0.57) POLBLMNAKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP claimed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US claimed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US claimed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO claimed
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP disclosed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US disclosed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US disclosed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 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-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, OPRK1, OPRD1 POLB 1680/4885SIGMAR1 1/4885ACP1 3181/4885

“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.