SCHEMBL4239507

SCHEMBL4239507

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.31
ADRB3 P13945 3/20 0.31
ADRB2 P07550 1/20 0.31
KCNA5 P22460 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
SCN5A Q14524 1/20 0.30
KCND3 Q9UK17 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
SCHEMBL4239510 1.00 ADRB1 (0.31) ADRB1ADRB3ADRB2KCNA5KCNJ5
SCHEMBL1841859 0.93 KCNA5 (0.36) ADRB1ADRB3ADRB2KCNA5KCNJ5
SCHEMBL2080830 0.93 KCNA5 (0.36) ADRB1ADRB3ADRB2KCNA5KCNJ5
SCHEMBL4250387 0.87 ADRB3 (0.33) ADRB1ADRB3ADRB2
SCHEMBL12662932 0.81 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4250379 0.81 KDM4E (0.33)
SCHEMBL4250383 0.81 KDM4E (0.33)
SCHEMBL4247239 0.76 ADRB3 (0.31) ADRB1ADRB3ADRB2
SCHEMBL4247242 0.76 ADRB3 (0.31) ADRB1ADRB3ADRB2
SCHEMBL14149054 0.76 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3

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 ADRB1 34/4885ADRB3 14/4885ADRB2 22/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 ADRB1 54/4885ADRB3 23/4885ADRB2 32/4885

“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.