SCHEMBL6042873

SCHEMBL6042873

O=C(O)N1CCC(c2ccc(OCCOc3ccc(Br)cc3)cc2)C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
UTS2R Q9UKP6 2/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 2/20 0.40
RORC P51449 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
SCHEMBL6043844 0.90 MEN1 (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL23291451 0.89 KDM1A (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL22804711 0.89 KDM1A (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL6041675 0.89 KDM1A (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL3193386 0.87 RAB9A (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL6041843 0.87 RAB9A (0.45) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL3066821 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTGAAHTTPOLB
SCHEMBL6042634 0.85 KDM1A (0.46) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL6042975 0.83 S1PR1 (0.53) ALDH1A1KDM4EKDM1A
SCHEMBL3069231 0.82 NPC1 (0.52) ALDH1A1MAPTHTTL3MBTL1KDM4E

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 ALDH1A1 2504/4885MAPT 43/4885CYP1A2 3010/4885

“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.