SCHEMBL2964571

SCHEMBL2964571

CCOc1cc(CO)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.50
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARD Q03181 2/20 0.43
AKR1C3 P42330 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
SCHEMBL8188015 0.85 AKR1C3 (0.56) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL3097800 0.84 SSTR5 (0.48) SSTR5CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL8195820 0.83 AKR1C3 (0.54) RXRARXRBRXRGPSEN1PSEN2
Lithium Ion SCHEMBL8195817 0.82 AKR1C3 (0.53) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL2955634 0.78 ALDH1A1 (0.51) SSTR5RXRARXRBRXRGCYP11B1
SCHEMBL2962117 0.78 PPARD (0.51) SSTR5RXRARXRBRXRGCYP1A2
SCHEMBL1201898 0.76 PSEN1 (0.49) SSTR5RXRARXRBRXRGPSEN1
SCHEMBL13350088 0.74 RXRA (0.58) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL16951979 0.73 HTT (0.49) SSTR5RXRARXRBRXRGS1PR1
SCHEMBL16958068 0.73 HTT (0.49) SSTR5RXRARXRBRXRGS1PR1

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 5 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
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 SSTR5 1/4885RXRA 1360/4885RXRB 1455/4885

“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.