SCHEMBL1071097

SCHEMBL1071097

CCN(CC)c1ccc(C(C)=O)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.41
▸ GBA1 P04062 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL4278531 0.79 GBA1 (0.52) GBA1HTR1APTGS2KMT2AAOC3
SCHEMBL8139286 0.79 NPC1 (0.41) KCNJ1MAPTPOLBGAAALDH1A1
SCHEMBL13165482 0.77 KCNJ1 (0.52) KCNJ1MAPTKMT2AALDH1A1LMNA
SCHEMBL5133216 0.73 NNMT (0.41) ENPP2HTR1APTGS2MAPTKMT2A
SCHEMBL11132196 0.72 GBA1 (0.42) GBA1HTR1APTGS2KMT2AAOC3
SCHEMBL14534850 0.71 CRHR1 (0.43) GBA1MAPTKMT2AMEN1MCL1
SCHEMBL25659249 0.71 KCNJ1 (0.41) KCNJ1KMT2AALDH1A1
SCHEMBL14534877 0.70 HCAR3 (0.58) KCNJ1GBA1MAPTKMT2AMEN1
SCHEMBL11637312 0.70 HCAR3 (0.46) ENPP2MAPTPOLBGAAAOC3
SCHEMBL31058098 0.69 KCNJ1 (0.46) KCNJ1MAPTKMT2AMEN1ALDH1A1

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-20110039848-A1 FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-17 — — US disclosed
US-20110039848-A1 FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-17 — — US disclosed
US-20110039848-A1 FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-17 — — US disclosed
EP-2272844-A1 FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 — — EP 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-20110039848-A1 FIVE-MEMBERED RING COMPOUND IL5, EPX, CCL11 KCNJ1 986/4885GBA1 3482/4885ENPP2 489/4885

“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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