SCHEMBL2430883

SCHEMBL2430883

CC1OCCC1NCCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.61
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CSNK1D P48730 1/20 0.45
NCS1 P62166 1/20 0.45

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
SCHEMBL2431949 0.85 CASR (0.71) CASR
SCHEMBL4207364 0.82 CASR (0.61) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL2430060 0.82 CASR (0.61) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL2430651 0.81 CASR (0.60) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL4037795 0.80 CASR (0.66) CASRCSNK1DNCS1
SCHEMBL2429367 0.79 CASR (0.62) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL3644521 0.79 CASR (0.68) CASRCSNK1DNCS1
SCHEMBL4038543 0.79 CASR (0.57) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL2434847 0.79 CASR (0.63) CASR
SCHEMBL4038949 0.79 CASR (0.57) CASRADORA2AADORA1CSNK1DNCS1

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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US claimed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885ADORA2A 321/4885ADORA1 38/4885

“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.