SCHEMBL4290899

SCHEMBL4290899

Cc1ccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.46
BACE1 P56817 4/20 0.46
BCHE P06276 3/20 0.46
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
MAPK1 P28482 1/20 0.38
ADRB1 P08588 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
SCHEMBL4048096 0.92 LTA4H (0.53) LTA4HACHEBACE1BCHEPKM
SCHEMBL4289743 0.89 LTA4H (0.49) LTA4HACHEBACE1BCHEALDH1A1
SCHEMBL4292943 0.84 HTT (0.47) LTA4HPOLBLMNAACHEBACE1
SCHEMBL4284816 0.84 ACHE (0.48) LTA4HLMNAACHEBACE1BCHE
SCHEMBL4287399 0.84 LTA4H (0.48) LTA4HPOLBACHEBACE1BCHE
SCHEMBL4289616 0.84 LTA4H (0.48) LTA4HPOLBACHEBACE1BCHE
SCHEMBL8123690 0.84 LTA4H (0.52) LTA4HPOLBLMNAACHEBACE1
SCHEMBL4287262 0.83 LTA4H (0.47) LTA4HPOLBACHEBACE1BCHE
SCHEMBL4294444 0.82 ACHE (0.48) LTA4HLMNAACHEBACE1BCHE
SCHEMBL4289865 0.82 LTA4H (0.45) LTA4HLMNAACHEBACE1BCHE

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 LTA4H 1197/4885POLB 3799/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885POLB 3799/4885LMNA 1785/4885

“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.