SCHEMBL14084203

SCHEMBL14084203

Nc1nc(OC[C@@H]2CCCN2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.48
▸ BCHE P06276 1/20 0.41
▸ CHRNB2 P17787 3/20 0.41
▸ CHRNA4 P43681 3/20 0.41
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ LTA4H P09960 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
SCHEMBL14084202 1.00 HRH4 (0.48) HRH4BCHECHRNB2CHRNA4CHRNB4
SCHEMBL14084205 0.97 HRH4 (0.47) HRH4BCHECHRNB2CHRNA4LTA4H
SCHEMBL14084204 0.97 HRH4 (0.47) HRH4BCHECHRNB2CHRNA4LTA4H
SCHEMBL14084248 0.94 HRH4 (0.50) HRH4BCHECHRNB2CHRNA4CHRNB4
SCHEMBL14084226 0.79 HRH4 (0.51) HRH4BCHE
SCHEMBL14084163 0.79 HRH4 (0.51) HRH4BCHE
SCHEMBL14084164 0.76 HRH4 (0.50) HRH4BCHE
SCHEMBL602388 0.76 HRH4 (0.57) HRH4BCHE
SCHEMBL14084166 0.76 HRH4 (0.48) HRH4BCHE
SCHEMBL13650580 0.75 HRH4 (0.50) HRH4CHRNB2CHRNA4CHRNB4CHRNA3

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 4 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-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
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 3013/4885BCHE 1235/4885CHRNB2 4875/4885

“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.

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