SCHEMBL4281693

SCHEMBL4281693

COc1cccc(NCC[C@@H]2CN(C(=O)O)CCN2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
BTK Q06187 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB1 P08588 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL13705351 0.87 PDE4B (0.41) GRIN2BMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4752929 0.83 CCR3 (0.39) CCR3BTKGRIN1GRIN2BUSP30
SCHEMBL4290277 0.83 CCR3 (0.39) CCR3BTKGRIN1GRIN2BUSP30
SCHEMBL4291328 0.82 CA1 (0.38) KDM4EMEN1KMT2AADRB1ALDH1A1
SCHEMBL4290290 0.81 ACHE (0.45) MEN1KMT2AL3MBTL1ALDH1A1ACHE
SCHEMBL4293573 0.81 SMN1; SMN2 (0.37) BTKKDM4ETDP1GRIN2BUSP30
SCHEMBL4750102 0.80 MAPT (0.41) MEN1KMT2AADRB1GAA
SCHEMBL4291132 0.79 MAPT (0.42) CCR3KDM4EGRIN2BMEN1KMT2A
SCHEMBL4294740 0.78 MAN1B1 (0.43) CCR3PKMADRB1GAA
Hydrochloric Acid SCHEMBL4290984 0.78 SCN9A (0.38) CCR3KDM4EGRIN1GRIN2BMEN1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CCR3 4507/4885BTK 643/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CCR3 4507/4885BTK 643/4885KDM4E 760/4885

“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.