SCHEMBL6043974

SCHEMBL6043974

O=C(O)N1CCC(c2ccc(F)cc2)C(OC/C=C/c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CCR3 P51677 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.40
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
AGTR2 P50052 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
SCHEMBL6043979 1.00 SMN1; SMN2 (0.43) SMN1; SMN2GAALMNAKDM4ECCR3
SCHEMBL6954354 0.81 OPRM1 (0.37) SMN1; SMN2GAALMNAKDM4ECCR3
SCHEMBL6043509 0.77 RAB9A (0.39) SMN1; SMN2GAAKDM4EMAPTHTR2A
SCHEMBL6042405 0.77 REN (0.47)
SCHEMBL6042400 0.77 REN (0.47)
SCHEMBL6042220 0.76 PPARA (0.41) SMN1; SMN2GAALMNAMAPTRAB9A
SCHEMBL6042226 0.76 PPARA (0.41) SMN1; SMN2GAALMNAMAPTRAB9A
SCHEMBL6041647 0.76 PPARG (0.39) LMNA
SCHEMBL6041640 0.76 PPARG (0.39) LMNA
SCHEMBL6043496 0.76 REN (0.50)

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 SMN1; SMN2 1096/4885GAA 37/4885LMNA 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.