SCHEMBL6042544

SCHEMBL6042544

COc1c(COC2CN(C(=O)O)CCC2c2ccc(COC(=O)c3ccccc3Cl)cc2)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.45
CCR5 P51681 2/20 0.38
SPTLC2 O15270 5/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DRD4 P21917 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL7080748 0.86 REN (0.42) RENCCR5CHRNB2CHRNB4CHRNA3
SCHEMBL6042744 0.86 HPGD (0.37) RENALDH1A1HPGDRAB9ADRD4
SCHEMBL6041481 0.84 HPGD (0.36) RENALDH1A1HPGDRAB9APDE4B
SCHEMBL6042210 0.83 HPGD (0.38) RENALDH1A1HPGDNPC1RAB9A
SCHEMBL6044016 0.83 HPGD (0.34) RENCCR5ALDH1A1HPGDRAB9A
Trifluoroacetic Acid SCHEMBL8206846 0.82 REN (0.54) REN
SCHEMBL6041322 0.82 REN (0.40) RENHPGDNPC1RAB9A
SCHEMBL6041536 0.80 SLC6A1 (0.34) RENHPGD
SCHEMBL6041261 0.79 REN (0.41) RENALDH1A1HPGDNPC1RAB9A
SCHEMBL6041632 0.78 PRMT5 (0.42) RENALDH1A1RAB9ASMN1; SMN2DRD4

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 REN 1485/4885CCR5 2844/4885SPTLC2 1656/4885

“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.