SCHEMBL6042729

SCHEMBL6042729

O=C(O)N1CCC(c2ccc(OCc3nc(-c4cccs4)no3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.55
FFAR1 O14842 1/20 0.52
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.40
PKM P14618 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
SCHEMBL6042397 0.90 REN (0.69) RENFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6042387 0.89 FFAR1 (0.51) RENFFAR1MAPTNPC1RAB9A
SCHEMBL6041911 0.87 REN (0.57) RENFFAR1MAPTTDP1
SCHEMBL6041408 0.86 REN (0.56) RENFFAR1
SCHEMBL7080728 0.86 REN (0.49) RENFFAR1MAPTNPC1RAB9A
SCHEMBL6042838 0.85 MAPT (0.44) RENFFAR1MAPTNPC1RAB9A
SCHEMBL6043084 0.85 REN (0.70) RENFFAR1MAPTSMN1; SMN2MAPK1
SCHEMBL6041547 0.84 MAPT (0.43) RENFFAR1MAPTNPC1RAB9A
SCHEMBL6042439 0.83 MAPT (0.42) RENFFAR1MAPTNPC1RAB9A
SCHEMBL7560414 0.82 MAPT (0.43) RENFFAR1MAPTNPC1RAB9A

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 1485/4885FFAR1 4168/4885MAPT 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.