SCHEMBL470199

SCHEMBL470199

Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GPR119 Q8TDV5 8/20 0.53
PDK2 Q15119 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP2C19 P33261 1/20 0.50
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
TSHR P16473 1/20 0.49
NAMPT P43490 1/20 0.49
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIK3CA P42336 1/20 0.46

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
SCHEMBL31130013 1.00 MAPT (0.56) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL31130014 1.00 MAPT (0.56) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL214913 0.90 MAPT (0.60) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL29803690 0.90 MAPT (0.60) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL214944 0.89 MAPT (0.62) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL30565931 0.89 MAPT (0.62) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL25447362 0.88 MAPT (0.60) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL20352117 0.86 MAPT (0.55) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL7242118 0.86 MAPT (0.56) MAPTALDH1A1LMNAGPR119PDK2
SCHEMBL21533625 0.85 MAPT (0.63) MAPTALDH1A1LMNAGPR119PDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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
CN-1351598-A Substituted phenyl compounds with immunosuppressing activity and pharmaceutical compositions ASTRAZENECA AB (SE) 2002-05-29 CN 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-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 MAPT 4062/4885ALDH1A1 75/4885LMNA 1061/4885

“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.