SCHEMBL856047

SCHEMBL856047

COc1ccc(CNc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP2C9 P11712 2/20 0.46
GRM2 Q14416 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.44
OXTR P30559 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL1848744 0.87 NAMPT (0.46) NPC1RAB9ACYP2C9GRM2POLB
SCHEMBL1845851 0.83 FFAR1 (0.47) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL1845515 0.81 NPC1 (0.51) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL26161732 0.80 MEN1 (0.46) NPC1RAB9AMAPTL3MBTL1OXTR
SCHEMBL23642897 0.80 KDM1A (0.41) NPC1RAB9ACYP2C9GRM2SMN1; SMN2
SCHEMBL3596714 0.78 CYP2C9 (0.55) NPC1RAB9ACYP2C9GRM2POLB
SCHEMBL2856903 0.78 NPC1 (0.49) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL854818 0.78 L3MBTL1 (0.64) NPC1RAB9ACYP2C9POLBSMN1; SMN2
SCHEMBL1844973 0.77 MAPT (0.66) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL1842306 0.77 NPC1 (0.48) NPC1RAB9APOLBSMN1; SMN2KDM4E

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 12 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-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP 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
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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 (3 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPC1 2296/4885RAB9A 2045/4885CYP2C9 2191/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPC1 3015/4885RAB9A 1166/4885CYP2C9 2187/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NPC1 2771/4885RAB9A 1330/4885CYP2C9 2293/4885

“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.