SCHEMBL6042322

SCHEMBL6042322

Cc1ccc([C@H]2CN(C(=O)O)C(CS)[C@@H](c3ccc(C)cc3)[C@H]2c2ccc(OCCCOCc3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM1A O60341 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6042315 0.75 KDM4E (0.38) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6042271 0.74 KDM4E (0.44) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6042310 0.73 REN (0.46) RENKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6043145 0.72 REN (0.51) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6043150 0.72 REN (0.51) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL13778710 0.72 DRD2 (0.54) LMNAL3MBTL1
SCHEMBL7566468 0.71 KMT2A (0.41) RENKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6042268 0.71 REN (0.45) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6044047 0.71 REN (0.45) RENKDM4EALDH1A1LMNAS1PR1
SCHEMBL6044040 0.71 REN (0.45) RENKDM4EALDH1A1LMNAS1PR1

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 1485/4885KDM4E 2501/4885ALDH1A1 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.