SCHEMBL4210158

SCHEMBL4210158

O=C(c1ccccc1)N1CCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.59
EPHX2 P34913 3/20 0.49
KCNN3 Q9UGI6 4/20 0.48
CDK2 P24941 1/20 0.46
CCR4 P51679 1/20 0.44
KCNN1 Q92952 1/20 0.43
KCNN2 Q9H2S1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13780222 0.87 DPP4 (0.62) DPP4EPHX2KCNN3CDK2CCR4
SCHEMBL13780276 0.81 DPP4 (0.68) DPP4EPHX2KCNN3CDK2CCR4
SCHEMBL4199130 0.81 DPP4 (0.82) DPP4KCNN3CDK2
SCHEMBL13780015 0.80 CCR4 (0.64) DPP4CCR4
SCHEMBL4209204 0.80 CCR4 (0.64) DPP4CCR4
SCHEMBL13780223 0.80 DPP4 (0.60) DPP4EPHX2KCNN3CDK2CCR4
SCHEMBL4218524 0.80 DPP4 (0.47) DPP4KCNN3CDK2CCR4ALDH1A1
SCHEMBL13780243 0.76 DPP4 (0.66) DPP4EPHX2KCNN3CCR4
SCHEMBL14844307 0.76 DPP4 (0.61) DPP4EPHX2KCNN3CDK2CCR4
SCHEMBL13780009 0.76 DPP4 (0.57) DPP4EPHX2CDK2CCR4ALDH1A1

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 DPP4 641/4885EPHX2 265/4885KCNN3 1892/4885

“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.