Sugi Predict

Sugi Predict / Compounds / SCHEMBL1807196

SCHEMBL1807196

SCHEMBL1807196

NC(=O)c1csc(SCC(=O)NC[C@H]2CN(Cc3ccc(F)c(F)c3)CCO2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ CCR3 P51677 1/20 0.45
▸ MCHR1 Q99705 1/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.41
▸ GRM2 Q14416 13/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL1807191 1.00 ALDH1A1 (0.48) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1807439 0.94 CCR3 (0.49) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1807444 0.94 CCR3 (0.49) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1809871 0.93 ALDH1A1 (0.47) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1809870 0.93 ALDH1A1 (0.47) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1807199 0.93 ALDH1A1 (0.50) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1807205 0.93 ALDH1A1 (0.50) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1812606 0.92 ALDH1A1 (0.45) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1812612 0.92 ALDH1A1 (0.45) ALDH1A1CCR3MCHR1DRD4SIGMAR1
SCHEMBL1807781 0.90 ALDH1A1 (0.46) ALDH1A1CCR3MCHR1DRD4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 — — EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 — — EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 — — EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 — — 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 ALDH1A1 2661/4885CCR3 1/4885MCHR1 301/4885

“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.