SCHEMBL4882572

SCHEMBL4882572

Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.64
SLC6A13 Q9NSD5 2/20 0.64
KCNH2 Q12809 1/20 0.64
DRD4 P21917 1/20 0.64
SIGMAR1 Q99720 4/20 0.63
TMEM97 Q5BJF2 2/20 0.63
MCHR1 Q99705 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.60
PRKAB2 O43741 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PRKAA1 Q13131 1/20 0.59

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
SCHEMBL14294334 0.84 SLC6A12 (0.61) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL31736417 0.84 MCHR1 (0.77) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL2233466 0.83 KCNH2 (0.80) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL694949 0.83 SIGMAR1 (0.82) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL4894227 0.83 MCHR1 (0.79) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL61848 0.80 TMEM97 (0.83) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL4883868 0.79 PRKAA2 (0.61) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL7218186 0.78 DRD4 (0.86) SLC6A12SLC6A13KCNH2DRD4SIGMAR1
SCHEMBL8706202 0.78 DRD4 (0.87) SLC6A12SLC6A13DRD4SIGMAR1TMEM97
SCHEMBL17946338 0.78 KMT2A (0.80) SLC6A12SLC6A13KCNH2DRD4SIGMAR1

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
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
EP-1761526-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005118579-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2005-12-15 WO 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 SLC6A12 2262/4885SLC6A13 2339/4885KCNH2 3299/4885

“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.