SCHEMBL4879439

SCHEMBL4879439

CC(=O)Nc1nc2c(c(N3CCN(C(=O)O)CC3)n1)CCCc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.51
HRH1 P35367 7/20 0.51
HRH2 P25021 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR3 P29371 1/20 0.38
BCHE P06276 1/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL602661 0.87 HRH4 (0.64) HRH4HRH1HRH2HRH3POLB
SCHEMBL4877939 0.82 HRH4 (0.69) HRH4HRH1HRH2HRH3BCHE
SCHEMBL606415 0.77 HRH4 (0.61) HRH4HRH1HRH2HRH3POLB
SCHEMBL603428 0.77 HRH4 (0.61) HRH4HRH1HRH2HRH3TACR3
SCHEMBL606722 0.75 HRH4 (0.58) HRH4HRH1HRH2HRH3POLB
SCHEMBL604665 0.74 HRH4 (0.63) HRH4HRH1HRH2HRH3POLB
SCHEMBL604908 0.74 HRH4 (0.57) HRH4HRH1HRH2HRH3POLB
SCHEMBL603539 0.74 HRH4 (0.62) HRH4HRH1HRH2HRH3POLB
SCHEMBL605447 0.72 HRH4 (0.70) HRH4HRH1HRH2HRH3CYP1A2
SCHEMBL605931 0.72 HRH4 (0.59) HRH4HRH1HRH2HRH3POLB

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 3013/4885HRH1 2660/4885HRH2 2549/4885

“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.