SCHEMBL12672176

SCHEMBL12672176

NC(Cc1ccncc1)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
TACR1 P25103 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL1157274 0.81 PNMT (0.45) SLC6A4SLC6A2SLC6A3DPP4LOXL2
SCHEMBL3282252 0.81 NOS1 (0.43) SLC6A4SLC6A2SLC6A3DPP4LOXL2
SCHEMBL1156843 0.81 DPP4 (0.47) SLC6A4SLC6A2SLC6A3DPP4LOXL2
SCHEMBL1157043 0.79 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3DPP4GRIN2D
Hydrochloric Acid SCHEMBL9322527 0.78 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3DPP4GRIN2D
Hydrochloric Acid SCHEMBL9322405 0.78 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3DPP4GRIN2D
SCHEMBL9306936 0.77 DPP4 (0.55) SLC6A4SLC6A2SLC6A3DPP4LOXL2
SCHEMBL11664457 0.73 TACR1 (0.41) SLC6A4SLC6A2SLC6A3TACR1CYP1A2
SCHEMBL20844633 0.72 TACR1 (0.40) SLC6A4SLC6A2SLC6A3TACR1CYP1A2
SCHEMBL20844683 0.72 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3TACR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. 2011-05-05 US 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-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A SLC6A4 231/4885SLC6A2 39/4885SLC6A3 215/4885

“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.