SCHEMBL1014253

SCHEMBL1014253

C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
HPGD P15428 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 1/20 0.57
HSD11B1 P28845 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 2/20 0.54
NAMPT P43490 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1070069 1.00 NPC1 (0.61) NPC1HPGDALDH1A1HSD17B10HSD11B1
SCHEMBL2279677 0.85 HDAC6 (0.50) NPC1HPGDALDH1A1KMT2AMEN1
SCHEMBL1013993 0.85 HDAC6 (0.50) NPC1HPGDALDH1A1KMT2ACYP2C19
SCHEMBL30134141 0.85 HDAC6 (0.50) NPC1HPGDALDH1A1KMT2AMEN1
SCHEMBL16676690 0.85 NPC1 (0.65) NPC1HPGDALDH1A1HSD17B10HSD11B1
SCHEMBL5101701 0.84 GRM2 (0.50) NPC1HPGDALDH1A1KMT2AMEN1
SCHEMBL31043119 0.81 MEN1 (0.58) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16907846 0.80 ALDH1A1 (0.71) NPC1HPGDALDH1A1HSD17B10KMT2A
SCHEMBL24340054 0.78 NPC1 (0.69) NPC1HPGDALDH1A1HSD17B10KMT2A
SCHEMBL12156515 0.78 NPC1 (0.69) NPC1HPGDALDH1A1HSD17B10HSD11B1

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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 NPC1 617/4885HPGD 2061/4885ALDH1A1 2564/4885

“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.