SCHEMBL982894

SCHEMBL982894

O=C1CC(c2ccc3[nH]ccc3c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT6 P42226 1/20 0.44
MAPK14 Q16539 2/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ACHE P22303 1/20 0.42
HTR4 Q13639 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL2789208 0.93 ALDH1A1 (0.43) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL982665 0.92 ALDH1A1 (0.46) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL985642 0.83 ALDH1A1 (0.43) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL3602720 0.78 ALDH1A1 (0.59) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL982063 0.77 ALDH1A1 (0.44) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL983389 0.76 CYP19A1 (0.52) GAACYP19A1KMT2ASLC6A2SLC6A4
SCHEMBL29158183 0.76 GPBAR1 (0.59) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL29158182 0.76 GPBAR1 (0.59) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL12640683 0.75 CYP19A1 (0.62) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL25890038 0.75 ALDH1A1 (0.62) ALDH1A1GAACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS HOFFMANN-LA ROCHE INC. (US) 2015-10-01 US disclosed
EP-2909190-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
WO-2014060386-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP disclosed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP disclosed
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 US disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 US disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 US disclosed
EP-2257545-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009115427-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 WO disclosed
WO-2009115427-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 WO 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 (2 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 ALDH1A1 837/4885GAA 275/4885CYP1A2 121/4885
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS APP, BACE1, IAPP ALDH1A1 1199/4885GAA 323/4885CYP1A2 210/4885

“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.