SCHEMBL6042361

SCHEMBL6042361

Cc1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
TP53 P04637 3/20 0.48
RAB9A P51151 3/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.45
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC18A3 Q16572 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM1A O60341 1/20 0.40
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 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
SCHEMBL5779590 0.86 SLC18A3 (0.42) NPC1TP53RAB9ATSHRSMN1; SMN2
SCHEMBL2241229 0.86 SLC18A3 (0.55) NPC1TP53RAB9ASMN1; SMN2HTT
SCHEMBL6042250 0.86 SLC18A3 (0.55) NPC1TP53RAB9ASMN1; SMN2HTT
SCHEMBL2241225 0.86 SLC18A3 (0.55) NPC1TP53RAB9ASMN1; SMN2HTT
SCHEMBL23291451 0.85 KDM1A (0.45) HTTMAPTMEN1KMT2ASLC18A3
SCHEMBL6041675 0.85 KDM1A (0.45) HTTMAPTMEN1KMT2ASLC18A3
SCHEMBL6043859 0.85 MAPT (0.45) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL22804711 0.85 KDM1A (0.45) HTTMAPTMEN1KMT2ASLC18A3
SCHEMBL29977366 0.85 SLC18A3 (0.41) NPC1TP53RAB9ATSHRSMN1; SMN2
SCHEMBL6041432 0.85 RAB9A (0.45) NPC1RAB9ASMN1; SMN2HTTMAPT

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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 NPC1 418/4885TP53 2505/4885RAB9A 1698/4885

“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.