SCHEMBL3312916

SCHEMBL3312916

C[C@H]1CCN(Cc2ccccc2)C[C@H]1N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.60
ALDH1A1 P00352 1/20 0.54
BCHE P06276 7/20 0.51
BACE1 P56817 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR3 P51677 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
MC4R P32245 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL22755783 1.00 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL566825 1.00 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL566826 1.00 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL1337308 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL31444680 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL6941799 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL11206512 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL13887811 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL6941807 0.87 ACHE (0.60) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL27564231 0.86 ACHE (0.58) ACHEALDH1A1BCHEBACE1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 EP 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 ACHE 4006/4885ALDH1A1 2375/4885BCHE 3651/4885

“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.