SCHEMBL2963928

SCHEMBL2963928

CC(C)Oc1cc(CN2CCC(NC(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc(OC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MCHR1 Q99705 6/20 0.47
DRD4 P21917 6/20 0.47
DRD2 P14416 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
CCR3 P51677 2/20 0.46
SMO Q99835 1/20 0.45
HTR2A P28223 1/20 0.44
SLC6A12 P48065 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44

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
SCHEMBL2957201 0.82 SSTR5 (0.60)
SCHEMBL2963856 0.80 SSTR5 (0.52)
SCHEMBL2957283 0.80 SSTR5 (0.63) KMT2AMCHR1DRD4SIGMAR1CCR3
SCHEMBL2964051 0.78 KMT2A (0.58) KMT2AMCHR1DRD4SIGMAR1CCR3
SCHEMBL2953675 0.77 SSTR5 (0.51)
SCHEMBL2953829 0.76 MCHR1 (0.71) MCHR1DRD4SIGMAR1
SCHEMBL4592061 0.76 CSNK2A1 (0.48) DRD4DRD2
SCHEMBL2954319 0.75 MCHR1 (0.59) MCHR1DRD4SIGMAR1SMO
SCHEMBL2962114 0.75 SSTR5 (0.65) MCHR1DRD4
SCHEMBL2957956 0.74 SSTR5 (0.61) MCHR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
CN-101189226-A Piperidin-4-yl-amide derivatives and their use as SST receptor subtype 5 antagonists HOFFMANN LA ROCHE (CH) 2008-05-28 CN disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 KMT2A 3271/4885MCHR1 97/4885DRD4 738/4885

“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.