SCHEMBL2497161

SCHEMBL2497161

O=C(O)Cc1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CCR3 P51677 6/20 0.49
DRD4 P21917 5/20 0.44
CCR1 P32246 4/20 0.42
HPGD P15428 2/20 0.39
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
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 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
Potassium SCHEMBL2497166 0.99 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1809259 0.99 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1809253 0.99 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1HPGD
Bromide SCHEMBL2497175 0.98 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1HPGD
Bromide SCHEMBL2497171 0.98 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1811851 0.94 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1811845 0.94 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1811585 0.93 ALDH1A1 (0.48) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1811580 0.93 ALDH1A1 (0.48) ALDH1A1CCR3DRD4CCR1HPGD
SCHEMBL1812508 0.92 ALDH1A1 (0.49) ALDH1A1CCR3DRD4CCR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030303-B2 Salt of morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-04 US claimed
US-20090264430-A1 Salt of morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-22 US claimed
EP-2042499-A1 SALT OF MORPHOLINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2009-04-01 EP claimed
EP-2042499-B1 SALT OF A MORPHOLINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-06-27 EP disclosed
US-8030303-B2 Salt of morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-04 US disclosed
US-20090264430-A1 Salt of morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-22 US disclosed
EP-2042499-A1 SALT OF MORPHOLINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2009-04-01 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-20090264430-A1 Salt of morpholine compound SLC11A2, SLC16A7, AVPR2 ALDH1A1 996/4885CCR3 4068/4885DRD4 582/4885

“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.