SCHEMBL4295880

SCHEMBL4295880

Cc1ccc(F)cc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 3/20 0.40
ACHE P22303 6/20 0.40
BACE1 P56817 5/20 0.40
BCHE P06276 4/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 1/20 0.39
TACR1 P25103 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MLNR O43193 1/20 0.37

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
SCHEMBL4292943 0.90 HTT (0.47) MEN1KMT2ALTA4HACHEBACE1
SCHEMBL4284730 0.88 ACHE (0.46) MEN1KMT2ALTA4HALDH1A1ACHE
SCHEMBL4287399 0.87 LTA4H (0.48) LTA4HALDH1A1ACHEBACE1BCHE
SCHEMBL4292168 0.86 ACHE (0.45) MEN1KMT2ALTA4HACHEBACE1
SCHEMBL4288903 0.86 LTA4H (0.49) MEN1KMT2ALTA4HALDH1A1ACHE
SCHEMBL4287262 0.84 LTA4H (0.47) KMT2ALTA4HALDH1A1ACHEBACE1
SCHEMBL4289743 0.84 LTA4H (0.49) LTA4HALDH1A1ACHEBACE1BCHE
SCHEMBL4289616 0.83 LTA4H (0.48) KMT2ALTA4HALDH1A1ACHEBACE1
SCHEMBL4048096 0.81 LTA4H (0.53) LTA4HALDH1A1ACHEBACE1BCHE
SCHEMBL4284816 0.81 ACHE (0.48) LTA4HALDH1A1ACHEBACE1BCHE

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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
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 MEN1 1254/4885KMT2A 1049/4885LTA4H 1197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MEN1 1254/4885KMT2A 1049/4885LTA4H 1197/4885

“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.