SCHEMBL12853447

SCHEMBL12853447

Nc1nc(N2CCCC3NCCCC3C2)c2c(n1)C1(CCCC1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
HRH4 Q9H3N8 14/20 0.57

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
SCHEMBL12853438 0.95 HRH3 (0.65) HRH3HRH4
SCHEMBL12853443 0.91 HRH3 (0.65) HRH3HRH4
SCHEMBL12853426 0.90 HRH4 (0.58) HRH3HRH4
SCHEMBL606064 0.90 HRH4 (0.58) HRH3HRH4
SCHEMBL606513 0.87 HRH4 (0.56) HRH3HRH4
SCHEMBL12853425 0.85 HRH3 (0.67) HRH3HRH4
SCHEMBL12853421 0.85 HRH4 (0.60) HRH3HRH4
SCHEMBL12853418 0.84 HRH3 (0.68) HRH3HRH4
SCHEMBL12853430 0.84 HRH3 (0.65) HRH3HRH4
SCHEMBL12853435 0.82 HRH3 (0.53) HRH3HRH4

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-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
WO-2009114575-A1 TRICYCLIC SPIRO PYRIMIDINE DERIVATIVES AS HISTAMINE H4 LIGAND ABBOTT LABORATORIES (US) 2009-09-17 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-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP HRH3 4454/4885HRH4 4235/4885

“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.