SCHEMBL4287399

SCHEMBL4287399

Cc1ccccc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
SCN4A P35499 2/20 0.40
POLB P06746 1/20 0.39
ACHE P22303 3/20 0.39
DRD4 P21917 1/20 0.38
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38
MC4R P32245 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
SCHEMBL4292943 0.89 HTT (0.47) LTA4HTSHRHTTSIGMAR1POLB
SCHEMBL4295880 0.87 MEN1 (0.49) LTA4HSMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL4294751 0.85 LTA4H (0.46) LTA4HALDH1A1SIGMAR1ACHEBCHE
SCHEMBL4288903 0.85 LTA4H (0.49) LTA4HSMN1; SMN2ALDH1A1SIGMAR1ACHE
SCHEMBL4282250 0.85 LTA4H (0.49) LTA4HSIGMAR1ACHEDRD4BACE1
SCHEMBL4048096 0.84 LTA4H (0.53) LTA4HALDH1A1SIGMAR1ACHEDRD4
SCHEMBL4291279 0.84 ACHE (0.46) LTA4HALDH1A1POLBACHEDRD4
SCHEMBL4290899 0.84 LTA4H (0.48) LTA4HSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL4290319 0.83 LTA4H (0.43) LTA4HSMN1; SMN2TSHRHTTSIGMAR1
SCHEMBL4284724 0.82 LTA4H (0.45) LTA4HSIGMAR1SCN4APOLBACHE

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 1197/4885SMN1; SMN2 4811/4885RECQL 2926/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SMN1; SMN2 4811/4885RECQL 2926/4885

“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.