SCHEMBL4197090

SCHEMBL4197090

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.46
▸ SORD Q00796 9/20 0.43
▸ HRH4 Q9H3N8 2/20 0.42
▸ OGA O60502 1/20 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
SCHEMBL31468673 0.81 CXCR4 (0.49) HRH3SORDHRH4
SCHEMBL4060308 0.78 HRH3 (0.60) HRH3HRH4
SCHEMBL2074918 0.78 HRH3 (0.69) HRH3SORDHRH4OGA
SCHEMBL4176041 0.78 HRH3 (0.54) HRH3
SCHEMBL4188217 0.77 HRH3 (0.40) HRH3
SCHEMBL4350540 0.76 HRH3 (0.48) HRH3SORDHRH4
SCHEMBL2073765 0.75 HRH4 (0.50) HRH3HRH4OGA
SCHEMBL2829654 0.74 HRH3 (0.47) HRH3
SCHEMBL2072892 0.74 OGA (0.48) HRH3HRH4OGA
SCHEMBL4467331 0.73 HRH3 (0.69) HRH3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HRH3 8/4885SORD 4308/4885HRH4 4/4885

“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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