SCHEMBL4239581

SCHEMBL4239581

CC[C@@H](CO)NC[C@@H](O)c1ccc(-n2c(C)ccc2C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 6/20 0.36
LMNA P02545 3/20 0.32
ADRA1A P35348 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CNR1 P21554 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.30
ADRB1 P08588 2/20 0.30
MAPT P10636 2/20 0.30
ADRB3 P13945 2/20 0.30
MTOR P42345 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 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
SCHEMBL4239577 1.00 KDM4E (0.36) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL1843192 0.85 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL22533940 0.85 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL1841051 0.85 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL13949318 0.85 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL4243278 0.85 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ADRB2LMNA
SCHEMBL2086312 0.81 KDM4E (0.45) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL4243870 0.81 CNR1 (0.34) ADRB2CNR1ADRB1ADRB3CYP1A2
SCHEMBL4243873 0.81 CNR1 (0.34) ADRB2CNR1ADRB1ADRB3CYP1A2
SCHEMBL5178621 0.81 CNR1 (0.34) ADRB2CNR1ADRB1ADRB3CYP1A2

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 KDM4E 2165/4885ALDH1A1 792/4885L3MBTL1 4477/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 KDM4E 2273/4885ALDH1A1 1067/4885L3MBTL1 4182/4885

“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.