SCHEMBL855981

SCHEMBL855981

CCn1cc(CN(C(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
JAK3 P52333 3/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
SCN4A P35499 1/20 0.36
MC3R P41968 1/20 0.36
HTR3A P46098 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GAA P10253 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL855524 0.90 JAK3 (0.38) ALDH1A1LMNAMAPTNPSR1CYP2C19
SCHEMBL855600 0.80 SCD (0.44) ALDH1A1LMNAMAPTNPSR1KDM4E
SCHEMBL855597 0.80 SOAT1 (0.41)
SCHEMBL881090 0.77 NR1H4 (0.34) ALDH1A1MAPTNPSR1KDM4ENR1H4
SCHEMBL854884 0.76 NPSR1 (0.37) ALDH1A1LMNAMAPTNPSR1MAPK1
Hydrochloric Acid SCHEMBL855630 0.76 NR1H4 (0.34) ALDH1A1MAPTNPSR1KDM4ENR1H4
SCHEMBL856560 0.72 SMN1; SMN2 (0.46) LMNAKMT2ANLRP3SMN1; SMN2
SCHEMBL1844171 0.72 C5AR1 (0.44) MAPTJAK3KMT2ANR1H4NPC1
SCHEMBL4592803 0.71 MAPT (0.36) ALDH1A1LMNAMAPTNPSR1CYP2C19
SCHEMBL1847370 0.71 C5AR1 (0.46) LMNAMAPTJAK3KMT2ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2416/4885LMNA 3941/4885MAPT 205/4885

“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.