SCHEMBL2960098

SCHEMBL2960098

COc1cc(OCCCC(=O)O)cc(C(=O)NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.61
POLB P06746 1/20 0.58
SIGMAR1 Q99720 1/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL2962718 0.93 MCHR1 (0.59) MCHR1POLBCNR1CNR2LMNA
SCHEMBL2953829 0.90 MCHR1 (0.71) MCHR1POLBSIGMAR1LMNAHTT
SCHEMBL2963334 0.87 MCHR1 (0.54) MCHR1POLBCNR1CNR2LMNA
SCHEMBL2957601 0.87 MCHR1 (0.68) MCHR1POLBSIGMAR1LMNAHTT
SCHEMBL2955372 0.85 MCHR1 (0.65) MCHR1POLBSIGMAR1LMNAHTT
SCHEMBL2958369 0.84 MCHR1 (0.59) MCHR1POLBLMNAHTTALDH1A1
SCHEMBL2951779 0.84 SSTR5 (0.59) MCHR1POLBLMNAHTT
SCHEMBL2957377 0.80 MCHR1 (0.54) MCHR1POLBLMNAHTTALDH1A1
SCHEMBL2961872 0.80 MCHR1 (0.65) MCHR1SIGMAR1LMNAHTT
SCHEMBL2951445 0.79 MCHR1 (0.55) MCHR1POLBALDH1A1

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
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
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 MCHR1 97/4885POLB 4752/4885SIGMAR1 374/4885

“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.