SCHEMBL855107

SCHEMBL855107

CN(C)c1ccc(CNc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NOS1 P29475 1/20 0.52
CACNA1B Q00975 1/20 0.52
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
GFER P55789 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CNR2 P34972 1/20 0.49
GAA P10253 2/20 0.47
MPO P05164 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL856237 0.91 CA1 (0.70) CA1CA2CA9ALDH1A1MAPT
SCHEMBL6419238 0.84 LMNA (0.61) ALDH1A1MAPTL3MBTL1CACNA1BLMNA
SCHEMBL10055033 0.84 LMNA (0.61) ALDH1A1MAPTL3MBTL1CACNA1BLMNA
SCHEMBL26267793 0.84 TAAR1 (0.52) CA1CA2CA9ALDH1A1MAPT
SCHEMBL855759 0.84 ALDH1A1 (0.62) CA1CA2CA9ALDH1A1MAPT
SCHEMBL855663 0.84 ALDH1A1 (0.64) CA1CA2CA9ALDH1A1MAPT
SCHEMBL3067983 0.83 CNR2 (0.71) ALDH1A1MAPTNPC1L3MBTL1CACNA1B
SCHEMBL2990622 0.82 CA1 (0.65) CA1CA2CA9ALDH1A1MAPT
SCHEMBL16846471 0.82 CA1 (0.60) CA1CA2CA9ALDH1A1MAPT
SCHEMBL855496 0.82 AGER (0.61) CA1CA2CA9ALDH1A1MAPT

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US 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 (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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 CA1 2217/4885CA2 4353/4885CA9 4324/4885

“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.