SCHEMBL11935243

SCHEMBL11935243

COc1ccc(NCC2CCC(N)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.48
BACE1 P56817 4/20 0.46
ACHE P22303 2/20 0.46
KDM1A O60341 2/20 0.43
ALDH2 P05091 1/20 0.43
BRD4 O60885 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
HTR2A P28223 1/20 0.40
ICMT O60725 1/20 0.39
DHFR P00374 1/20 0.39
MAP2K1 Q02750 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
FFAR1 O14842 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL13438936 1.00 GALR1 (0.48) GALR1BACE1ACHEKDM1AALDH2
SCHEMBL13438924 0.87 ACHE (0.58) BACE1ACHEKMT2AMEN1MAPT
SCHEMBL11935244 0.87 ACHE (0.58) BACE1ACHEKMT2AMEN1MAPT
SCHEMBL1240839 0.87 GALR1 (0.59) GALR1BACE1ACHEKDM1AALDH2
SCHEMBL11935251 0.84 ACHE (0.49) BACE1ACHEKMT2AMEN1MAPT
SCHEMBL13438932 0.84 ACHE (0.49) BACE1ACHEKMT2AMEN1MAPT
SCHEMBL13439210 0.82 BACE1 (0.43) BACE1BACE2KMT2AMEN1MAPT
SCHEMBL11935474 0.82 BACE1 (0.43) BACE1BACE2KMT2AMEN1MAPT
SCHEMBL13439270 0.81 UTS2R (0.47) BACE1ACHEHTR2A
SCHEMBL11935526 0.81 UTS2R (0.47) BACE1ACHEHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (2 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R GALR1 37/4885BACE1 1446/4885ACHE 1699/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GALR1 47/4885BACE1 2767/4885ACHE 2490/4885

“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.