SCHEMBL6042310

SCHEMBL6042310

Cc1ccc(SC[C@@H]2CN(C(=O)O)C[C@H](CSc3ccc(C)cc3)C2c2ccc(OCCCOCc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 1/20 0.36
KCNA5 P22460 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
SCHEMBL6043083 0.84 REN (0.61) RENKMT2AMEN1DRD2DRD4
SCHEMBL6044047 0.83 REN (0.45) RENKMT2AKDM4EALDH1A1LMNA
SCHEMBL7591191 0.83 REN (0.45) RENKMT2AKDM4EALDH1A1LMNA
SCHEMBL6044040 0.83 REN (0.45) RENKMT2AKDM4EALDH1A1LMNA
SCHEMBL6042268 0.83 REN (0.45) RENKMT2AKDM4EALDH1A1LMNA
SCHEMBL6042046 0.81 REN (0.45) RENKMT2AMEN1KDM4EALDH1A1
SCHEMBL6042041 0.81 REN (0.45) RENKMT2AMEN1KDM4EALDH1A1
SCHEMBL6042075 0.81 REN (0.65) REN
SCHEMBL7566468 0.79 KMT2A (0.41) RENKMT2AMEN1KDM4EALDH1A1
SCHEMBL6043150 0.79 REN (0.51) RENKMT2AKDM4EALDH1A1LMNA

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 1485/4885KMT2A 2702/4885MEN1 2561/4885

“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.