SCHEMBL1848744

SCHEMBL1848744

COCCOc1ccc(CNc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LIPG Q9Y5X9 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL856047 0.87 NPC1 (0.48) NAMPTL3MBTL1NPC1RAB9APOLB
SCHEMBL11994451 0.79 ACACB (0.42) NAMPTL3MBTL1ACACBLIPGTSHR
SCHEMBL1845851 0.79 FFAR1 (0.47) L3MBTL1NPC1RAB9APOLBACACB
SCHEMBL1845515 0.76 NPC1 (0.51) L3MBTL1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL2856903 0.74 NPC1 (0.49) L3MBTL1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL854818 0.73 L3MBTL1 (0.64) L3MBTL1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL1842306 0.73 NPC1 (0.48) L3MBTL1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL23642897 0.71 KDM1A (0.41) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13185115 0.71 PIK3CD (0.45) NAMPTL3MBTL1NPC1RAB9AACACB
SCHEMBL9446756 0.71 ACACB (0.47) NAMPTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (2 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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NAMPT 1160/4885L3MBTL1 1629/4885NPC1 3015/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NAMPT 1459/4885L3MBTL1 1732/4885NPC1 2771/4885

“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.