SCHEMBL6041903

SCHEMBL6041903

O=CC1CN(C(=O)O)CCC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
S1PR5 Q9H228 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43

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
SCHEMBL3069231 0.85 NPC1 (0.52) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL16874657 0.84 KDM1A (0.49) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL6042797 0.83 MAOA (0.48) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL29585171 0.82 MEN1 (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL18586108 0.82 MEN1 (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL27843432 0.82 RAB9A (0.57) S1PR5TP53SMN1; SMN2KCNH2KDM4E
SCHEMBL27487864 0.81 MAOB (0.43) KDM1AMAOAMAOBS1PR5KCNH2
SCHEMBL3418650 0.80 KDM1A (0.44) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL27037680 0.79 MRGPRX4 (0.57) TP53SMN1; SMN2KCNH2KDM4EMAPT
SCHEMBL3074739 0.79 KDM1A (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KDM1A 1891/4885MAOA 192/4885MAOB 206/4885

“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.