SCHEMBL6043926

SCHEMBL6043926

O=C(OC(Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(F)cc1)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.51
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 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
Hydrochloric Acid SCHEMBL6041803 0.84 REN (0.56) REN
SCHEMBL7580182 0.76 MAPT (0.44) RENKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL6041683 0.74 REN (0.46) RENSLC6A2SLC6A4
SCHEMBL7081306 0.71 REN (0.47) RENSLC6A2SLC6A4
SCHEMBL6956262 0.71 REN (0.79) REN
Hydrochloric Acid SCHEMBL6041951 0.70 REN (0.47) RENSLC6A2SLC6A4
SCHEMBL6044192 0.68 REN (0.60) REN
SCHEMBL6041464 0.67 REN (1.00) REN
SCHEMBL7078731 0.67 REN (1.00) REN
SCHEMBL7078324 0.67 REN (1.00) REN

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 1485/4885ITGB3 3355/4885ITGA2B 3910/4885

“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.