SCHEMBL4243285

SCHEMBL4243285

C[C@@H](CO)NC[C@H](O)c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.41
ADRB3 P13945 8/20 0.41
ADRB1 P08588 7/20 0.41
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
MTOR P42345 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4243287 1.00 ADRB2 (0.41) ADRB2ADRB3ADRB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9769338 0.85 ADRB2 (0.53) ADRB2ADRB3ADRB1CYP1A2CYP3A4
SCHEMBL14182784 0.82 ADRB2 (0.59) ADRB2ADRB3ADRB1CYP3A4TSHR
SCHEMBL9646831 0.80 ADRB2 (0.56) ADRB2ADRB3ADRB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9769253 0.80 ADRB1 (0.39) ADRB2ADRB3ADRB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9769243 0.80 ADRB1 (0.39) ADRB2ADRB3ADRB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9227965 0.79 ADRB2 (0.57) ADRB2ADRB3ADRB1CYP1A2CYP3A4
SCHEMBL1843192 0.77 KDM4E (0.38) ADRB2ADRB3ADRB1CYP1A2CYP3A4
SCHEMBL13949318 0.77 KDM4E (0.38) ADRB2ADRB3ADRB1CYP1A2CYP3A4
SCHEMBL22533940 0.77 KDM4E (0.38) ADRB2ADRB3ADRB1CYP1A2CYP3A4

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 6 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-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
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 ADRB2 22/4885ADRB3 14/4885ADRB1 34/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 ADRB2 32/4885ADRB3 23/4885ADRB1 54/4885

“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.