SCHEMBL6041450

SCHEMBL6041450

COc1cccc(COc2cc(COC3C(c4ccc(F)cc4)CCN(C(=O)O)C3CC[Si](C)(C)C)cc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
F2RL3 Q96RI0 6/20 0.36
PKM P14618 1/20 0.35
DRD4 P21917 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MMP13 P45452 1/20 0.34
F10 P00742 1/20 0.34
REN P00797 1/20 0.34
KIT P10721 1/20 0.34
MAOA P21397 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL6042403 0.93 PTGER1 (0.37) F2RL3PKMREN
SCHEMBL6042169 0.90 REN (0.38) TACR1F2RL3PKMF10REN
SCHEMBL7562261 0.85 HCRTR1 (0.33) TACR1
SCHEMBL6043273 0.80 REN (0.42) TACR1PKMDRD4MRGPRX4REN
SCHEMBL6042606 0.76 REN (0.37) F2RL3F10REN
SCHEMBL6959444 0.73 REN (0.56) REN
SCHEMBL6044005 0.71 KDM2B (0.40) MRGPRX4RENMAOA
SCHEMBL6042567 0.70 REN (0.38) TACR1REN
SCHEMBL6042720 0.70 SLC6A4 (0.42) MRGPRX4
SCHEMBL6042864 0.70 REN (0.45) 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 TACR1 508/4885F2RL3 209/4885PKM 2071/4885

“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.