SCHEMBL4282960

SCHEMBL4282960

COc1ccc(C(F)(F)F)cc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
TACR1 P25103 2/20 0.42
LTA4H P09960 1/20 0.42
DRD4 P21917 5/20 0.41
ACHE P22303 4/20 0.41
BACE1 P56817 4/20 0.41
BCHE P06276 2/20 0.40
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL4286385 0.87 TSHR (0.49) HTR6LTA4HDRD4ACHEBACE1
SCHEMBL4292168 0.83 ACHE (0.45) HTR6LTA4HDRD4ACHEBACE1
SCHEMBL4289865 0.82 LTA4H (0.45) HTR6LTA4HDRD4ACHEBACE1
SCHEMBL4290290 0.81 ACHE (0.45) HTR6LTA4HDRD4ACHEBACE1
SCHEMBL4294444 0.80 ACHE (0.48) LTA4HDRD4ACHEBACE1BCHE
SCHEMBL4284816 0.80 ACHE (0.48) LTA4HDRD4ACHEBACE1BCHE
SCHEMBL4291279 0.80 ACHE (0.46) HTR6LTA4HDRD4ACHEBACE1
SCHEMBL4291600 0.79 LTA4H (0.44) LTA4HDRD4ACHEBACE1BCHE
SCHEMBL4422792 0.79 LTA4H (0.48) LTA4HDRD4ACHEBACE1MEN1
SCHEMBL4282272 0.79 LTA4H (0.48) LTA4HDRD4ACHEBACE1MEN1

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-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

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 HTR6 2808/4885TACR1 97/4885LTA4H 1197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR6 2808/4885TACR1 97/4885LTA4H 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.