SCHEMBL1842940

SCHEMBL1842940

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNA5 P22460 2/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 1/20 0.33
KCND3 Q9UK17 1/20 0.33
CYP51A1 Q16850 2/20 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
SCHEMBL1842366 1.00 KDM4E (0.34) KDM4EALDH1A1L3MBTL1KCNA5KCNJ5
SCHEMBL1842364 1.00 KDM4E (0.34) KDM4EALDH1A1L3MBTL1KCNA5KCNJ5
SCHEMBL4250379 0.93 KDM4E (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL4250383 0.93 KDM4E (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL13949330 0.91 KDM4E (0.35) KDM4EALDH1A1L3MBTL1
SCHEMBL4247031 0.91 KDM4E (0.35) KDM4EALDH1A1L3MBTL1
SCHEMBL12662665 0.90 KDM4E (0.35) KDM4EALDH1A1L3MBTL1KCNA5KCNJ5
SCHEMBL4244124 0.82 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL5178096 0.82 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4245779 0.81 KDM4E (0.35) KDM4EALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848709-B1 NOVEL SALT FORM OF A DOPAMINE AGONIST PFIZER LTD (GB) 2011-05-18 EP disclosed
US-7498329-B2 Salt form of dopamine agonist PFIZER INC. (US) 2009-03-03 US disclosed
US-20060183740-A1 Novel salt form of a dopamine agonist PFIZER INC 2006-08-17 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 (1 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-20060183740-A1 Novel salt form of a dopamine agonist SLC6A3, CHRNA5, TACR2 KDM4E 2433/4885ALDH1A1 2367/4885L3MBTL1 4291/4885

“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.