SCHEMBL4386868

SCHEMBL4386868

NCCc1cccc(OCCCN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HRH3 Q9Y5N1 10/20 0.56
TSHR P16473 1/20 0.56
KCNH2 Q12809 1/20 0.55

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
SCHEMBL30831555 0.93 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HRH3KCNH2
SCHEMBL26985810 0.93 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HRH3KCNH2
SCHEMBL10672014 0.88 HRH3 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1HRH3
SCHEMBL11258963 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3TSHR
SCHEMBL13544385 0.83 HRH3 (0.74) KDM4EALDH1A1SMN1; SMN2L3MBTL1HRH3
SCHEMBL12323573 0.83 KDM4E (0.86) KDM4EALDH1A1SMN1; SMN2L3MBTL1HRH3
SCHEMBL4392386 0.82 HRH3 (0.79) HRH3
SCHEMBL30831619 0.82 MEN1 (0.61) KDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL26985925 0.82 MEN1 (0.61) KDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL6397785 0.82 HRH3 (0.69) KDM4EALDH1A1SMN1; SMN2L3MBTL1HRH3

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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 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 (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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 KDM4E 4348/4885ALDH1A1 102/4885SMN1; SMN2 1391/4885

“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.