SCHEMBL3072157

SCHEMBL3072157

O=C(O)N1CCC(c2ccc(OCCCOc3cccc(C(F)(F)F)c3)cc2)C(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
PPARA Q07869 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
EPHX2 P34913 1/20 0.45
PDGFRA P16234 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PPARD Q03181 1/20 0.43
LTA4H P09960 1/20 0.42
MEN1 O00255 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL3065562 0.88 TACR1 (0.49) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL3081651 0.87 KDM1A (0.43) ALDH1A1GAAKMT2APPARDMEN1
SCHEMBL3193386 0.87 RAB9A (0.45) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL3072493 0.85 HRH3 (0.49) KDM4EALDH1A1GAAKMT2APPARA
SCHEMBL3080397 0.85 HRH3 (0.48) KDM4EALDH1A1PPARGEPHX2PPARD
SCHEMBL3085349 0.85 KMT2A (0.50) KDM4EALDH1A1KMT2ALMNAPPARA
SCHEMBL6041843 0.84 RAB9A (0.45) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL6043844 0.83 MEN1 (0.45) ALDH1A1GAAKMT2AHTTS1PR1
SCHEMBL3072128 0.83 KDM1A (0.42) ALDH1A1GAAKMT2ALMNAPPARG
SCHEMBL3066821 0.82 SMN1; SMN2 (0.47) KDM4EALDH1A1GAAKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885ALDH1A1 142/4885GAA 92/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885ALDH1A1 142/4885GAA 92/4885

“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.