SCHEMBL4245059

SCHEMBL4245059

CCCN(C[C@@H](O)c1ccc(-n2c(C)ccc2C)nc1)[C@H](CO)COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
SCN5A Q14524 1/20 0.31
KCND3 Q9UK17 1/20 0.31
RGS12 O14924 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AGER Q15109 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL4245055 1.00 FFAR1 (0.33) FFAR1MAOBALDH1A1KCNA5KCNJ5
SCHEMBL4245080 0.85 MAOB (0.37) FFAR1MAOBRGS12APOBEC3AAPOBEC3G
SCHEMBL4245083 0.85 MAOB (0.37) FFAR1MAOBRGS12APOBEC3AAPOBEC3G
SCHEMBL4242423 0.84 FFAR1 (0.35) FFAR1MAOBALDH1A1KCNA5KCNJ5
SCHEMBL4242417 0.84 FFAR1 (0.35) FFAR1MAOBALDH1A1KCNA5KCNJ5
SCHEMBL13949322 0.80 BACE1 (0.43) MAOB
SCHEMBL1842366 0.79 KDM4E (0.34) ALDH1A1KCNA5KCNJ5KCNJ3SCN5A
SCHEMBL1842364 0.79 KDM4E (0.34) ALDH1A1KCNA5KCNJ5KCNJ3SCN5A
SCHEMBL5178621 0.77 CNR1 (0.34) RGS12APOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL4243873 0.77 CNR1 (0.34) RGS12APOBEC3AAPOBEC3GCYP1A2CYP3A4

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-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals PFIZER INC 2005-12-29 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-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals DRD2, DRD1, DRD3 FFAR1 545/4885MAOB 300/4885ALDH1A1 792/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 FFAR1 400/4885MAOB 237/4885ALDH1A1 1067/4885

“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.