SCHEMBL1108844

SCHEMBL1108844

Cn1c(N2CCOCC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSD11B1 P28845 10/20 0.43
NR1I2 O75469 2/20 0.43
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
DRD4 P21917 1/20 0.39
HSD11B2 P80365 3/20 0.39

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
SCHEMBL1108839 0.86 HSD11B1 (0.53) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108883 0.86 HSD11B1 (0.44) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108865 0.84 OPRL1 (0.46) HSD11B1OPRM1OPRD1OPRK1
SCHEMBL1108884 0.84 OPRD1 (0.43) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108846 0.84 OPRM1 (0.43) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108851 0.84 OPRM1 (0.42) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108874 0.83 HSD11B1 (0.44) ALDH1A1HSD11B1NR1I2OPRM1OPRD1
SCHEMBL1108877 0.83 KMT2A (0.43) ALDH1A1TSHRHSD11B1NR1I2OPRM1
SCHEMBL1108913 0.82 HSD11B1 (0.45) KDM4EHSD11B1NR1I2LMNA
SCHEMBL1108914 0.82 HSD11B1 (0.55) HSD11B1NR1I2HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838544-B2 Heterocyclic inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and methods of using the same INCYTE CORPORATION (US) 2010-11-23 US claimed
EP-2018378-A2 HETEROCYCLIC INHIBITORS OF 11-B HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME Incyte Corporation (US) 2009-01-28 EP claimed
WO-2007137066-A2 HETEROCYCLIC INHIBITORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-11-29 WO claimed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-7838544-B2 Heterocyclic inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and methods of using the same INCYTE CORPORATION (US) 2010-11-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
EP-2018378-A2 HETEROCYCLIC INHIBITORS OF 11-B HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME Incyte Corporation (US) 2009-01-28 EP disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
WO-2007137066-A2 HETEROCYCLIC INHIBITORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-11-29 WO disclosed
US-20070270424-A1 Heterocyclic inhibitors of 11-beta hydroxyl steroid dehydrogenase type 1 and methods of using the same INCYTE CORPORATION 2007-11-22 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 (3 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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 ALDH1A1 169/4885KDM4E 3417/4885HPGD 257/4885
US-20070270424-A1 Heterocyclic inhibitors of 11-beta hydroxyl steroid dehydrogenase type 1 and methods of using the same HSD11B1, HSD17B1, HSD17B11 ALDH1A1 87/4885KDM4E 2708/4885HPGD 32/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ALDH1A1 525/4885KDM4E 3353/4885HPGD 1077/4885

“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.