SCHEMBL3074739

SCHEMBL3074739

O=C(O)N1CCC(c2ccc(OCc3ccccc3)cc2)C(OCCO)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
S1PR5 Q9H228 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL6041851 0.93 REN (0.47) KDM1AMAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3072427 0.87 YAP1 (0.50) KDM1AMAOAMAOB
SCHEMBL3418650 0.85 KDM1A (0.44) KDM1AMAOAMAOBSMN1; SMN2TP53
SCHEMBL6042644 0.85 REN (0.53) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL3065405 0.84 KMT2A (0.45) SMN1; SMN2RAB9AALDH1A1LMNAMAPT
SCHEMBL6043477 0.84 REN (0.46) KDM1AMAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3068343 0.83 PPARG (0.41) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL6041386 0.83 REN (0.55)
SCHEMBL3085694 0.83 LMNA (0.43) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL3073844 0.82 AR (0.42) KDM1AMAOAMAOBSMN1; SMN2KDM4E

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 7 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
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 (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 KDM1A 3515/4885MAOA 85/4885MAOB 43/4885
US-20070010511-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.