SCHEMBL2953758

SCHEMBL2953758

COc1cc(C(=O)O)cc(-c2ccncc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.63
TTK P33981 2/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
AURKA O14965 1/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL11951311 0.87 TTK (0.51) RXRATTKAURKBINCENPKDM4E
SCHEMBL30420728 0.85 RXRA (0.69) RXRASTIM1ORAI1CA1CA2
SCHEMBL14150399 0.85 RXRA (0.69) RXRASTIM1ORAI1CA1CA2
SCHEMBL17089053 0.82 NAPRT (0.60) KDM4EMAPTNAPRTLMNA
SCHEMBL5924950 0.82 NAPRT (0.60) KDM4EMAPTNAPRTLMNA
SCHEMBL2960311 0.82 KMO (0.61) RXRAKDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL29572748 0.81 RXRA (0.67) RXRAKDM4ECA1CA2CYP1A2
SCHEMBL29128751 0.81 RXRA (0.72) RXRAKDM4ESTIM1ORAI1CA1
SCHEMBL2558136 0.81 RXRA (0.73) RXRAKDM4EMAPTSTIM1ORAI1
SCHEMBL2958179 0.81 RXRA (0.68) RXRAKDM4ESTIM1ORAI1CA1

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 RXRA 1360/4885TTK 3596/4885AURKB 4185/4885

“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.