SCHEMBL4245080

SCHEMBL4245080

Cc1ccc(C)n1-c1ccc([C@@H](O)CN(C(=O)O)[C@H](CO)COCc2ccccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
EGLN1 Q9GZT9 3/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
BACE1 P56817 1/20 0.32
PRKCA P17252 2/20 0.32
PRKCD Q05655 2/20 0.32
FFAR1 O14842 2/20 0.32
RORC P51449 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
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AGER Q15109 1/20 0.31
CNR1 P21554 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL4245083 1.00 MAOB (0.37) MAOBEGLN1CYP3A4ALOX15MAPK1
SCHEMBL13949322 0.90 BACE1 (0.43) MAOBEGLN1BACE1PRKCAPRKCD
SCHEMBL29460230 0.81 BACE1 (0.34) MAOBEGLN1BACE1PRKCAPRKCD
SCHEMBL22534013 0.79 KDM4E (0.34) EGLN1RORC
SCHEMBL22534009 0.79 KDM4E (0.34) EGLN1RORC
SCHEMBL5178621 0.77 CNR1 (0.34) EGLN1CYP3A4BACE1RGS12APOBEC3A
SCHEMBL4243870 0.77 CNR1 (0.34) EGLN1CYP3A4BACE1RGS12APOBEC3A
SCHEMBL4243873 0.77 CNR1 (0.34) EGLN1CYP3A4BACE1RGS12APOBEC3A
SCHEMBL4243883 0.73 RAB9A (0.36) CYP3A4RORCCYP2D6CYP2C19
SCHEMBL4245774 0.70 KDM4E (0.35)

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 4 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
EP-1758862-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS Pfizer Limited (GB) 2007-03-07 EP disclosed
US-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals PFIZER INC 2005-12-29 US disclosed
WO-2005115985-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS PFIZER LIMITED (GB) 2005-12-08 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-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals DRD2, DRD1, DRD3 MAOB 300/4885EGLN1 3597/4885CYP3A4 611/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 MAOB 237/4885EGLN1 3387/4885CYP3A4 814/4885

“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.