SCHEMBL5459289

SCHEMBL5459289

Clc1cccc(OC2CCNC2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.59
HTR1A P08908 8/20 0.59
SLC6A4 P31645 5/20 0.58
SLC6A3 Q01959 5/20 0.58
HTR2C P28335 7/20 0.52
HTR2B P41595 7/20 0.52
CYP2D6 P10635 1/20 0.52

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 SCHEMBL5482984 0.98 SLC6A2 (0.58) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
SCHEMBL3080032 0.90 SLC6A2 (0.57) SLC6A2HTR1ASLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL4095144 0.89 SLC6A2 (0.56) SLC6A2HTR1ASLC6A4SLC6A3CYP2D6
SCHEMBL3163221 0.87 SLC6A2 (0.64) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
SCHEMBL8271825 0.87 SLC6A2 (0.64) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
SCHEMBL14957210 0.86 SLC6A2 (0.64) SLC6A2HTR1ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL71830 0.85 SLC6A2 (0.63) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL4119514 0.85 SLC6A2 (0.63) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL4119212 0.85 SLC6A2 (0.63) SLC6A2HTR1ASLC6A4SLC6A3HTR2C
SCHEMBL82955 0.76 HRH1 (0.62) SLC6A2HTR1ASLC6A4SLC6A3HTR2C

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 SLC6A2 2/4885HTR1A 67/4885SLC6A4 5/4885

“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.