SCHEMBL4216360

SCHEMBL4216360

C=CC(=O)N1CCN(c2nnc(C(=O)OCC)c(NCc3ccc(Cl)cc3Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 10/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL13780306 0.89 NPSR1 (0.43) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL13780301 0.87 DPP4 (0.45) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL13780304 0.86 NPSR1 (0.45) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL4205431 0.86 NPSR1 (0.43) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL4209221 0.85 CCR4 (0.42) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL13780305 0.84 EPHX2 (0.48) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL13780309 0.80 BTK (0.41) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL13780310 0.78 CKS1B (0.42) CCR4NPSR1MAPTMEN1KMT2A
SCHEMBL4206474 0.76 NPSR1 (0.50) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL13780315 0.73 CCR4 (0.46) CCR4NPSR1MAPTMEN1KMT2A

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 CCR4 1/4885NPSR1 2574/4885MAPT 4753/4885

“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.