SCHEMBL6042367

SCHEMBL6042367

O=C(O)N1CCC(c2ccc3c4c(cccc24)CC3)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.43
KDM4E B2RXH2 16/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6041552 0.81 HRH3 (0.43) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7081982 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6041537 0.74 KDM4E (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2241225 0.72 SLC18A3 (0.55) ALDH1A1MAPTHPGDPOLBHTT
SCHEMBL2241229 0.72 SLC18A3 (0.55) ALDH1A1MAPTHPGDPOLBHTT
SCHEMBL6042250 0.72 SLC18A3 (0.55) ALDH1A1MAPTHPGDPOLBHTT
SCHEMBL2882238 0.72 OPRL1 (0.43) ALDH1A1MAPTHTTRAB9A
SCHEMBL2883527 0.72 OPRL1 (0.43) ALDH1A1MAPTHTTRAB9A
SCHEMBL2882782 0.72 RAB9A (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2778139 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBHTT

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 2504/4885KDM4E 2501/4885MAPT 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.