SCHEMBL6041561

SCHEMBL6041561

O=C(O)N1CCC(c2cccc(CF)c2)C(OCc2cc(OCc3ccccc3)c3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
TACR1 P25103 5/20 0.35
APP P05067 1/20 0.35
CCR5 P51681 1/20 0.34
LRRK2 Q5S007 2/20 0.34
REN P00797 1/20 0.34
TPSAB1 Q15661 1/20 0.33
CCR8 P51685 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL6041483 0.92 KDM2B (0.40) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6041597 0.92 KDM2B (0.39) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6044005 0.88 KDM2B (0.40) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6042821 0.87 NPC1 (0.40) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6043804 0.85 REN (0.39) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL7079194 0.84 KDM2B (0.37) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6041833 0.83 REN (0.52) REN
SCHEMBL6042212 0.83 MGLL (0.39) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6041290 0.82 REN (0.39) KDM2BNPC1LMNAPOLBMAPT
SCHEMBL6041246 0.82 KDM2B (0.45) KDM2BNPC1LMNAPOLBMAPT

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 KDM2B 2244/4885NPC1 418/4885LMNA 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.