SCHEMBL6041884

SCHEMBL6041884

O=C(c1ccccc1)c1cccc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.39
REN P00797 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
BCHE P06276 2/20 0.37
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 1/20 0.36
SRD5A2 P31213 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
SCHEMBL6041827 0.86 F10 (0.45) MRGPRX4MEN1POLBKMT2AALDH1A1
SCHEMBL6043496 0.84 REN (0.50) REN
SCHEMBL6954201 0.82 REN (0.37) MRGPRX4RENBCHEMEN1KMT2A
SCHEMBL6043206 0.82 MAPT (0.43) MRGPRX4RENRAB9ANPC1SMN1; SMN2
SCHEMBL6041246 0.82 KDM2B (0.45) MRGPRX4RENRAB9ANPC1SMN1; SMN2
SCHEMBL6041641 0.81 REN (0.46) REN
SCHEMBL6041769 0.80 REN (0.42) REN
SCHEMBL6042313 0.80 RXRB (0.39) RENRAB9ANPC1ATMSMN1; SMN2
SCHEMBL6957689 0.80 REN (0.59) REN
SCHEMBL6042163 0.80 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 MRGPRX4 914/4885REN 1485/4885RAB9A 1698/4885

“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.