SCHEMBL1877830

SCHEMBL1877830

CC(C)Oc1cc(CN2CCC(Nc3cncnc3)CC2)cc(OC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.57
ROCK2 O75116 6/20 0.41
ALDH1A1 P00352 1/20 0.41
PABPC1 P11940 1/20 0.40
ROCK1 Q13464 3/20 0.38
CCR2 P41597 1/20 0.38
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LTA4H P09960 1/20 0.36
NSD2 O96028 1/20 0.36
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CXCR3 P49682 1/20 0.35

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
SCHEMBL1874661 0.92 SSTR5 (0.50) SSTR5ROCK2ALDH1A1PABPC1ROCK1
SCHEMBL1876748 0.87 SSTR5 (0.58) SSTR5ROCK2ROCK1FAAHSIGMAR1
SCHEMBL1875528 0.85 SSTR5 (0.48) SSTR5ROCK2ALDH1A1PABPC1HRH1
SCHEMBL1870580 0.80 SSTR5 (0.56) SSTR5ROCK2ALDH1A1PABPC1ROCK1
SCHEMBL3782674 0.80 SSTR5 (0.60) SSTR5ALDH1A1FAAHSIGMAR1HRH1
SCHEMBL3779040 0.80 SSTR5 (0.55) SSTR5ROCK2ALDH1A1PABPC1FAAH
SCHEMBL3782984 0.79 SSTR5 (0.59) SSTR5ROCK2ALDH1A1SIGMAR1NSD2
SCHEMBL1881043 0.79 SSTR5 (0.65) SSTR5ROCK2ROCK1CCR2FAAH
SCHEMBL3771840 0.78 SSTR5 (0.58) SSTR5ALDH1A1PABPC1SIGMAR1NSD2
SCHEMBL2416700 0.77 CCNK (0.59) SSTR5

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 4 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
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
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 1/4885ROCK2 4148/4885ALDH1A1 1558/4885

“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.