SCHEMBL6043859

SCHEMBL6043859

O=C(O)N1CCC(c2ccc(Cl)cc2)C(O)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5779590 0.86 SLC18A3 (0.42) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL17514137 0.86 CYP1A2 (0.43) MAPTNPC1LMNATP53NFKB1
SCHEMBL2241229 0.86 SLC18A3 (0.55) MAPTNPC1LMNATP53NFKB1
SCHEMBL6042250 0.86 SLC18A3 (0.55) MAPTNPC1LMNATP53NFKB1
SCHEMBL2241225 0.86 SLC18A3 (0.55) MAPTNPC1LMNATP53NFKB1
SCHEMBL23291451 0.85 KDM1A (0.45) MAPTLMNA
SCHEMBL6041675 0.85 KDM1A (0.45) MAPTLMNA
SCHEMBL22804711 0.85 KDM1A (0.45) MAPTLMNA
SCHEMBL6042361 0.85 NPC1 (0.48) MAPTNPC1LMNATP53RAB9A
SCHEMBL29977366 0.85 SLC18A3 (0.41) NPC1TP53RAB9ASMN1; 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 3 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
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 MAPT 43/4885NPC1 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.