SCHEMBL3418650

SCHEMBL3418650

C=CCOC1CN(C(=O)O)CCC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
S1PR5 Q9H228 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3072449 0.89 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL3072160 0.88 YAP1 (0.49) KDM1AMAOAMAOB
SCHEMBL3074739 0.85 KDM1A (0.46) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL6042110 0.84 REN (0.49)
SCHEMBL3081977 0.83 PPARG (0.39) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL6043843 0.82 SLC6A2 (0.39) KDM1AMAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3079026 0.82 REN (0.48)
SCHEMBL6042644 0.82 REN (0.53) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL6042650 0.80 ALOX5 (0.47) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL3069231 0.80 NPC1 (0.52) KDM1AMAOAMAOBS1PR5TP53

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-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
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KDM1A 3515/4885MAOA 85/4885MAOB 43/4885

“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.