SCHEMBL11238

SCHEMBL11238

C[C@@H](Oc1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
TEAD4 Q15561 1/20 0.39
POLB P06746 1/20 0.38
MAOB P27338 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 2/20 0.35
NR4A1 P22736 1/20 0.35
APP P05067 1/20 0.35
OGA O60502 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL10941 1.00 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL11433 1.00 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL12818771 0.96 TDP1 (0.40) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10751 0.84 ALDH1A1 (0.53) MAPK1ALDH1A1CYP3A4MAPTNPC1
SCHEMBL30679206 0.81 ALDH1A1 (0.45) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL17707975 0.81 ACHE (0.41) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL9856281 0.79 ESR2 (0.45) APPKDM4E
SCHEMBL2833080 0.79 LDHA (0.42) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL23674125 0.79 MAOB (0.44) MAOB
SCHEMBL506831 0.79 MAOB (0.44) MAOB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
CN-102639533-B Azacyclo-spiro derivative 霍夫曼-拉罗奇有限公司 2016-08-03 CN disclosed
EP-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
CN-103429587-B As the azaspiro decanone compound of HSL inhibitor HOFFMAN-LA ROCHE LTD. (CH) 2015-09-30 CN disclosed
CN-103429569-B New azaspirodecanone compounds HOFFMANN LA ROCHE 2015-07-08 CN disclosed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8703807-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
EP-2688881-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
EP-2686300-A1 NEW AZASPIRODECANONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 EP disclosed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
WO-2012130679-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 WO disclosed
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
WO-2012123468-A1 NEW AZASPIRODECANONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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 (4 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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 TDP1 1258/4885MAPK1 3873/4885ALDH1A1 120/4885
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS CYP51A1, HSD17B7, NR5A1 TDP1 2534/4885MAPK1 3731/4885ALDH1A1 192/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE TDP1 3555/4885MAPK1 2336/4885ALDH1A1 1748/4885
US-20120245191-A1 NEW AZASPIRODECANONE COMPOUNDS TYMS, CDK11A, CDKN1A TDP1 2009/4885MAPK1 3690/4885ALDH1A1 791/4885

“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.