SCHEMBL6041782

SCHEMBL6041782

O=C(O)N1CCC(c2ccc(CCSc3nc4ccccc4s3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.47
CTSE P14091 2/20 0.47
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
REN P00797 9/20 0.41
CCR1 P32246 2/20 0.40
CCR3 P51677 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL6042165 0.95 CTSD (0.48) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6042118 0.92 CTSD (0.44) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6042594 0.85 REN (0.47) REN
SCHEMBL7084575 0.85 CTSD (0.43) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6042568 0.83 CTSD (0.37) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6041883 0.83 MAPT (0.47) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6041877 0.83 MAPT (0.47) CTSDCTSEALDH1A1HPGDSMN1; SMN2
SCHEMBL6042115 0.82 REN (0.41) REN
SCHEMBL7077090 0.81 REN (0.60) CTSDCTSEREN
SCHEMBL7502327 0.81 CTSD (0.45) CTSDCTSEALDH1A1HPGDSMN1; 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 CTSD 92/4885CTSE 64/4885ALDH1A1 2504/4885

“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.