SCHEMBL4874612

SCHEMBL4874612

COC(=O)N(C)c1ccc2c(c1)-c1nc(N)nc(O)c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.39
TACR3 P29371 1/20 0.33
NPY5R Q15761 2/20 0.33
DHFR P00374 1/20 0.32
TUBB3 Q13509 1/20 0.32
FBP1 P09467 3/20 0.32
ACHE P22303 2/20 0.32
SYK P43405 2/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL604087 0.82 HRH4 (0.62) HRH4
SCHEMBL4875265 0.80 CYP2C19 (0.43) HRH4
SCHEMBL4877385 0.75 HRH4 (0.62) HRH4NPY5RACHE
SCHEMBL2091407 0.73 RXRA (0.48) RXRARXRBRXRG
SCHEMBL2167222 0.70 HRH4 (0.57) HRH4NPY5RACHE
SCHEMBL4868863 0.70 HRH4 (0.42) HRH4DHFRFBP1ACHE
SCHEMBL4876581 0.68 HRH4 (0.54) HRH4ACHE
SCHEMBL4875322 0.66 ACHE (0.36) ACHESYK
SCHEMBL12256594 0.65 CYP19A1 (0.33) ACHE
SCHEMBL4869436 0.64 TYMS (0.39) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HRH4 3013/4885TACR3 4612/4885NPY5R 4096/4885

“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.