SCHEMBL7232828

SCHEMBL7232828

CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)c(C(=O)O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PDK2 Q15119 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.50
▸ GPR119 Q8TDV5 4/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ ALK Q9UM73 2/20 0.47
▸ SUV39H2 Q9H5I1 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7234678 0.99 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1786153 0.89 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAHTT
Lithium Ion SCHEMBL7234683 0.88 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL15797078 0.87 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30208188 0.87 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30952688 0.86 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL25202323 0.85 IP6K1 (0.60) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7235368 0.85 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10063610 0.85 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7242118 0.84 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 — — US disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 — — WO disclosed
US-6555541-B1 P2X7 receptor antagonists for treatment of inflammatory respiratory system disorders such as asthma; for example, 2-(3,4-Difluorophenylamino)-N-(2-methyl-5-piperazin-1-yl-methyl-phenyl) -acetamide, trihydrochloride ASTRAZENECA UK LIMITED (GB) 2003-04-29 — — US disclosed
EP-1185522-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-03-13 — — EP disclosed
WO-2000071529-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS ASTRAZENECA AB (SE) 2000-11-30 — — 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3104/4885SMN1; SMN2 2687/4885ALDH1A1 2448/4885

“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.

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