SCHEMBL1810697

SCHEMBL1810697

CC(=O)N(C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Sc1nnc(SC(C)(C)C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.42
CCR3 P51677 1/20 0.41
SIGMAR1 Q99720 1/20 0.36
ARG1 P05089 2/20 0.35
ARG2 P78540 2/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1812038 0.88 DRD4 (0.44) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1807350 0.86 CCR3 (0.45) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1810524 0.85 CCR3 (0.44) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1813495 0.84 CCR3 (0.43) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1809977 0.84 CCR3 (0.42) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1809333 0.82 DRD4 (0.42) DRD4CCR3SIGMAR1ARG1ARG2
SCHEMBL1808118 0.81 DRD4 (0.43) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1809273 0.81 CCR3 (0.44) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1810235 0.81 DRD4 (0.44) DRD4CCR3SIGMAR1CCR2KCNH2
SCHEMBL1810695 0.81 ALDH1A1 (0.49) DRD4CCR3SIGMAR1KCNH2CYP1A2

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 5 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
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 (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 DRD4 768/4885CCR3 1/4885SIGMAR1 808/4885

“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.