SCHEMBL854697

SCHEMBL854697

CCn1cc(CNc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL856389 0.84 NPC1 (0.40) JAK3ALDH1A1MAPTKDM4EGAA
SCHEMBL854987 0.84 NPBWR1 (0.46) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL4760334 0.82 JAK3 (0.39) JAK3ALDH1A1MAPTKDM4EGAA
SCHEMBL856262 0.79 PTGDR2 (0.41) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL855917 0.77 NPC1 (0.39) JAK3ALDH1A1MAPTKDM4EGAA
SCHEMBL1843101 0.77 SMN1; SMN2 (0.45) JAK3ALDH1A1MAPTKDM4EGAA
SCHEMBL3639381 0.75 GAA (0.46) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL854818 0.74 L3MBTL1 (0.64) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL17806603 0.72 KCNH2 (0.46) L3MBTL1
SCHEMBL1619043 0.72 KMT2A (0.40) JAK3ALDH1A1MAPTKDM4ETDP1

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 JAK3 543/4885ALDH1A1 2416/4885MAPT 205/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 JAK3 1414/4885ALDH1A1 2539/4885MAPT 728/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S JAK3 1430/4885ALDH1A1 2529/4885MAPT 700/4885

“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.