SCHEMBL6041559

SCHEMBL6041559

O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3sccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
REN P00797 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6043496 0.85 REN (0.50) MCHR1REN
SCHEMBL6041769 0.85 REN (0.42) REN
SCHEMBL6041771 0.84 REN (0.41) REN
SCHEMBL6042266 0.82 REN (0.44) KCNH2RENALDH1A1SMN1; SMN2HTT
SCHEMBL6958090 0.82 HCRTR1 (0.35) SIGMAR1KCNH2MCHR2MCHR1OPRM1
SCHEMBL6043008 0.81 KCNH2 (0.38) KCNH2MCHR2MCHR1MRGPRX4REN
SCHEMBL6041724 0.81 LMNA (0.43) KCNH2MCHR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6042313 0.81 RXRB (0.39) SIGMAR1RENALDH1A1SMN1; SMN2MAPT
SCHEMBL6043725 0.81 REN (0.40) MRGPRX4REN
SCHEMBL6041569 0.81 REN (0.39) 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 SIGMAR1 3885/4885KCNH2 2420/4885MCHR2 3887/4885

“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.