SCHEMBL3818375

SCHEMBL3818375

CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc(N)nc3c2CCCCC32Cc3ccccc3C2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.54
HRH3 Q9Y5N1 4/20 0.54
PDE10A Q9Y233 2/20 0.43
MAP4K4 O95819 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
BTK Q06187 2/20 0.40
AURKA O14965 3/20 0.40
PDPK1 O15530 3/20 0.40
AURKB Q96GD4 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 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
SCHEMBL3818368 1.00 HRH4 (0.54) HRH4HRH3PDE10AMAP4K4PIM1
SCHEMBL4132593 0.84 HRH4 (0.46) HRH4HRH3PDE10AMAP4K4PIM1
SCHEMBL4132590 0.84 HRH4 (0.46) HRH4HRH3PDE10AMAP4K4PIM1
SCHEMBL2166160 0.80 HRH4 (0.70) HRH4HRH3PDE10AMAP4K4CKS1B
SCHEMBL605597 0.78 HRH3 (0.74) HRH4HRH3
SCHEMBL605598 0.78 HRH3 (0.74) HRH4HRH3
SCHEMBL604874 0.71 HRH4 (0.56) HRH4HRH3
SCHEMBL3816114 0.71 HRH3 (0.57) HRH4HRH3PDE10A
SCHEMBL3816118 0.71 HRH3 (0.57) HRH4HRH3PDE10A
SCHEMBL604869 0.71 HRH4 (1.00) HRH4HRH3

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-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

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 HRH4 4235/4885HRH3 4454/4885PDE10A 1626/4885

“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.