SCHEMBL4038648

SCHEMBL4038648

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GPR119 Q8TDV5 8/20 0.61
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NAMPT P43490 1/20 0.55
ESRRB O95718 1/20 0.54
ESR1 P03372 1/20 0.54
ESRRA P11474 1/20 0.54
ESRRG P62508 1/20 0.54
TSHR P16473 1/20 0.52
USP2 O75604 1/20 0.50

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
SCHEMBL63633 0.99 MAPT (0.65) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL5573222 0.89 MAPT (0.76) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL24891887 0.88 MAPT (0.64) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL1481563 0.87 GPR119 (0.78) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL2945397 0.87 GPR119 (0.81) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL8354642 0.86 GPR119 (0.62) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL8348627 0.86 GPR119 (0.62) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL13218466 0.86 GPR119 (0.79) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL2453801 0.86 MAPT (0.64) MAPTLMNAALDH1A1GPR119KMT2A
SCHEMBL26054723 0.86 MAPT (0.64) MAPTLMNAALDH1A1GPR119KMT2A

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MAPT 3367/4885LMNA 3686/4885ALDH1A1 4151/4885

“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.