SCHEMBL6043121

SCHEMBL6043121

O=C(O)N1CCCCC1C(O)Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.47
UTS2R Q9UKP6 1/20 0.45
SIGMAR1 Q99720 5/20 0.43
MCHR1 Q99705 1/20 0.43
EPHX1 P07099 1/20 0.42
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7084677 0.83 SIGMAR1 (0.41) CASRUTS2RSIGMAR1MCHR1EPHX1
SCHEMBL25337504 0.82 DPP4 (0.49) DPP4ALDH1A1
SCHEMBL25337500 0.82 DPP4 (0.49) DPP4ALDH1A1
SCHEMBL25337497 0.82 DPP4 (0.49) DPP4ALDH1A1
SCHEMBL6042982 0.75 SLC6A2 (0.46) UTS2RSIGMAR1MCHR1
SCHEMBL3076594 0.71 LMNA (0.44) DPP4GAA
SCHEMBL3076592 0.71 LMNA (0.44) DPP4GAA
SCHEMBL3533488 0.70 TSHR (0.45) DPP4GAA
SCHEMBL31267102 0.70 DPP4 (0.57) DPP4OPRD1
SCHEMBL12719816 0.70 ACE (0.53)

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 5 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
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 CASR 2758/4885UTS2R 2234/4885SIGMAR1 3885/4885

“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.