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SCHEMBL1877448

SCHEMBL1877448

Cc1c(N)ncc(N)c1C1CCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR5 P51681 4/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ FAAH O00519 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL1875837 0.87 SSTR5 (0.37) SSTR5ALDH1A1CCR5
SCHEMBL1874533 0.82 CCR5 (0.42) SSTR5ALDH1A1CCR5TP53
SCHEMBL1748104 0.82 SSTR5 (0.45) SSTR5ALDH1A1CCR5PDE2AFAAH
SCHEMBL1870157 0.81 TLR9 (0.42) SSTR5ALDH1A1CCR5DRD2DRD4
SCHEMBL1877332 0.78 SSTR5 (0.48) SSTR5CCR5
SCHEMBL1874337 0.75 SSTR5 (0.49) SSTR5TP53
SCHEMBL1876242 0.75 DHFR (0.48) SSTR5CCR5DHFR
SCHEMBL1876358 0.75 SSTR5 (0.41) SSTR5ALDH1A1CCR5TDP1MAP3K12
SCHEMBL1748632 0.74 ALDH1A1 (0.50) SSTR5ALDH1A1FAAHDRD2DRD4
SCHEMBL1873520 0.73 SSTR5 (0.51) SSTR5ALDH1A1CCR5SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 — — US claimed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 — — EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 — — WO claimed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 — — US claimed
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 — — EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 — — WO disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 — — 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R SSTR5 1/4885ALDH1A1 1558/4885CCR5 312/4885

“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.