SCHEMBL5464152

SCHEMBL5464152

c1ccc2nc(OC3CCNC3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
PRKCZ Q05513 5/20 0.46
MKNK1 Q9BUB5 1/20 0.45
HTR1A P08908 2/20 0.43
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41

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
Hydrochloric Acid SCHEMBL5463046 0.98 CHRNB2 (0.48) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL5461270 0.91 HRH1 (0.50) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5468114 0.89 HRH1 (0.49) SLC6A2SLC6A4SLC6A3HTR1APIM1
Hydrochloric Acid SCHEMBL29862885 0.89 HRH1 (0.49) SLC6A2SLC6A4SLC6A3HTR1APIM1
SCHEMBL2722697 0.81 CHRNB2 (0.48) CHRNB2CHRNA4SLC6A2PRKCZMKNK1
SCHEMBL2723948 0.81 CHRNB2 (0.48) CHRNB2CHRNA4SLC6A2PRKCZMKNK1
SCHEMBL23708624 0.80 HTR2C (0.49) PRKCZ
SCHEMBL26774676 0.80 HTR2C (0.49) PRKCZ
SCHEMBL23708625 0.80 HTR2C (0.49) PRKCZ
SCHEMBL29995259 0.80 HTR2C (0.49) PRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US claimed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 EP claimed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 WO claimed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 WO claimed
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US disclosed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 WO disclosed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 CHRNB2 62/4885CHRNA4 41/4885SLC6A2 2/4885

“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.