SCHEMBL2856903

SCHEMBL2856903

CCc1ccc(CNc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 3/20 0.46
ALOX12 P18054 3/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CXCR4 P61073 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL1845515 0.82 NPC1 (0.51) NPC1RAB9APOLBMAPTGAA
SCHEMBL1842306 0.81 NPC1 (0.48) NPC1RAB9APOLBMAPTGAA
SCHEMBL30093325 0.80 CXCR4 (0.60) NPC1RAB9APOLBMAPTGAA
SCHEMBL854818 0.79 L3MBTL1 (0.64) NPC1RAB9APOLBMAPTGAA
SCHEMBL856047 0.78 NPC1 (0.48) NPC1RAB9APOLBMAPTGAA
SCHEMBL2604908 0.75 ESR1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1848744 0.74 NAMPT (0.46) NPC1RAB9APOLBMAPTGAA
SCHEMBL1845851 0.73 FFAR1 (0.47) NPC1RAB9APOLBMAPTGAA
SCHEMBL11935866 0.73 L3MBTL1 (0.57) NPC1RAB9APOLBMAPTGAA
SCHEMBL855985 0.73 RAB9A (0.62) NPC1RAB9APOLBMAPTGAA

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-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US 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

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 NPC1 3015/4885RAB9A 1166/4885POLB 2830/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NPC1 2771/4885RAB9A 1330/4885POLB 2613/4885

“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.