SCHEMBL6042271

SCHEMBL6042271

CC1[C@H](Br)[C@@H](c2ccc(OCCCOCc3ccccc3)cc2)[C@H](Br)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
REN P00797 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 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
SCHEMBL6954184 0.82 KDM4E (0.39) KDM4EALDH1A1LMNARENKCNH2
SCHEMBL7447624 0.81 REN (0.46) KDM4EALDH1A1LMNARENNPC1
SCHEMBL6042315 0.77 KDM4E (0.38) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6042268 0.77 REN (0.45) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6043150 0.77 REN (0.51) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6043145 0.77 REN (0.51) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL7591191 0.75 REN (0.45) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6044040 0.75 REN (0.45) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6044047 0.75 REN (0.45) KDM4EALDH1A1LMNARENSMN1; SMN2
SCHEMBL6042041 0.74 REN (0.45) KDM4EALDH1A1LMNARENSMN1; SMN2

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 KDM4E 2501/4885ALDH1A1 2504/4885LMNA 380/4885

“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.