SCHEMBL1806586

SCHEMBL1806586

O=C(O)CCNC(=O)c1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CCR3 P51677 6/20 0.48
DRD4 P21917 4/20 0.41
CCR1 P32246 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 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
SCHEMBL1806593 1.00 ALDH1A1 (0.48) ALDH1A1CCR3DRD4CCR1MEN1
Hydrochloric Acid SCHEMBL1806820 0.99 ALDH1A1 (0.48) ALDH1A1CCR3DRD4CCR1MEN1
Hydrochloric Acid SCHEMBL1806815 0.99 ALDH1A1 (0.48) ALDH1A1CCR3DRD4CCR1MEN1
SCHEMBL1807913 0.93 CCR3 (0.51) ALDH1A1CCR3DRD4CCR1MEN1
SCHEMBL1807909 0.93 CCR3 (0.51) ALDH1A1CCR3DRD4CCR1MEN1
SCHEMBL12625548 0.93 ALDH1A1 (0.49) ALDH1A1CCR3DRD4CCR1MEN1
Hydrochloric Acid SCHEMBL1809324 0.92 ALDH1A1 (0.49) ALDH1A1CCR3DRD4CCR1MEN1
Hydrochloric Acid SCHEMBL1809314 0.92 ALDH1A1 (0.49) ALDH1A1CCR3DRD4CCR1MEN1
SCHEMBL12625459 0.90 CCR3 (0.49) ALDH1A1CCR3DRD4CCR1MEN1
SCHEMBL1807869 0.90 CCR3 (0.53) ALDH1A1CCR3DRD4CCR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193217-A1 THERAPEUTIC AGENT FOR OPHTHALMIC DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-07-07 US claimed
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP claimed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP claimed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US claimed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US claimed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP claimed
US-10130634-B2 Therapeutic agent for ophthalmic disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-20 US disclosed
US-20160193217-A1 THERAPEUTIC AGENT FOR OPHTHALMIC DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-07-07 US disclosed
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
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
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 (3 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-10130634-B2 Therapeutic agent for ophthalmic disease MITF, UACA, VEGFA ALDH1A1 289/4885CCR3 3110/4885DRD4 3410/4885
US-20160193217-A1 THERAPEUTIC AGENT FOR OPHTHALMIC DISEASE MITF, UACA, VEGFA ALDH1A1 289/4885CCR3 3110/4885DRD4 3410/4885
US-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 ALDH1A1 2661/4885CCR3 1/4885DRD4 768/4885

“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.