SCHEMBL2960690

SCHEMBL2960690

CCOc1cc(C=O)ccc1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TACR2 P21452 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A1 P04798 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1B1 Q16678 4/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERN1 O75460 1/20 0.43
FDPS P14324 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR1 P21453 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL2955584 0.85 ALDH1A1 (0.58) ALDH1A1TACR2KDM4EMAPTHPGD
SCHEMBL2955705 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL2963995 0.82 ALDH1A1 (0.55) ALDH1A1TACR2KDM4EMAPTHPGD
SCHEMBL2955634 0.82 ALDH1A1 (0.51) ALDH1A1TACR2KDM4ECYP1A1CYP1A2
SCHEMBL4591313 0.77 ALDH1A1 (0.52) ALDH1A1TACR2KDM4ECYP1A2CYP2D6
SCHEMBL3571436 0.77 DRD1 (0.52) ALDH1A1TACR2KDM4EHPGDMEN1
SCHEMBL2599782 0.76 ALDH1A1 (0.51) ALDH1A1TACR2KDM4EMAPTHPGD
SCHEMBL17535846 0.76 ALDH1A1 (0.58) ALDH1A1TACR2KDM4EMAPTHPGD
SCHEMBL493684 0.76 ALDH1A1 (0.73) ALDH1A1TACR2KDM4EMAPTHPGD
SCHEMBL30159697 0.76 ALDH1A1 (0.73) ALDH1A1TACR2KDM4EMAPTHPGD

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 ALDH1A1 3425/4885TACR2 40/4885KDM4E 3383/4885

“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.