SCHEMBL2074918

SCHEMBL2074918

CC(C)N1CCN(c2ccnc(N)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.69
HRH4 Q9H3N8 3/20 0.69
OGA O60502 1/20 0.58
ROCK1 Q13464 2/20 0.43
SORD Q00796 6/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL2166051 0.81 HRH4 (1.00) HRH3HRH4
SCHEMBL29883493 0.80 MAPK14 (0.45) HRH3HRH4OGA
SCHEMBL14880196 0.79 HRH3 (0.71) HRH3HRH4OGAROCK1SORD
SCHEMBL17626748 0.79 HRH3 (0.71) HRH3HRH4OGAROCK1SORD
SCHEMBL13018736 0.78 HRH3 (0.70) HRH3HRH4OGAROCK1SORD
SCHEMBL4197090 0.78 HRH3 (0.46) HRH3HRH4OGASORD
Bromide SCHEMBL20445910 0.78 HRH3 (0.69) HRH3HRH4OGAROCK1SORD
SCHEMBL10932400 0.78 HRH3 (0.69) HRH3HRH4OGAROCK1
SCHEMBL27901036 0.77 HRH3 (0.69) HRH3HRH4OGAROCK1SORD
SCHEMBL4172255 0.77 GRIN2D (0.49) HRH3HRH4OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US disclosed
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 EP disclosed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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 (2 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HRH3 8/4885HRH4 4/4885OGA 4644/4885
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885HRH4 2/4885OGA 4655/4885

“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.