SCHEMBL5985387

SCHEMBL5985387

CCC1(C)Oc2cc(Cl)c(C)cc2N(CCCOC)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.52
CYP2D6 P10635 5/20 0.52
CYP2C9 P11712 5/20 0.52
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALPL P05186 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MTOR P42345 1/20 0.31
RICTOR Q6R327 1/20 0.31
MAPKAP1 Q9BPZ7 1/20 0.31
MLST8 Q9BVC4 1/20 0.31

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
SCHEMBL12361722 0.92 REN (0.56) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL7606441 0.89 REN (0.39) RENCYP2D6CYP2C9ALDH1A1RAB9A
SCHEMBL5984674 0.87 REN (0.52) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL7638870 0.87 REN (0.52) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL5984677 0.87 REN (0.52) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL14747754 0.85 REN (0.50) RENCYP2D6CYP2C9CYP3A4MTOR
SCHEMBL5985379 0.84 REN (0.49) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL5984244 0.84 REN (0.49) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL13433998 0.82 REN (0.60) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL2241757 0.80 REN (0.60) RENCYP2D6CYP2C9CYP3A4ALDH1A1

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP2D6 218/4885CYP2C9 270/4885

“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.