SCHEMBL351360

SCHEMBL351360

O=C(O)C1(c2ccc(Br)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
AKR1C1 Q04828 3/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
APP P05067 5/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC4 P56524 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL29581091 1.00 DGAT1 (0.43) DGAT1AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL4964802 0.98 DGAT1 (0.42) DGAT1AKR1C3AKR1C2AKR1C1AKR1B10
Water SCHEMBL4964797 0.97 DGAT1 (0.41) DGAT1AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL28369708 0.93 HDAC4 (0.43) DGAT1AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL28591926 0.89 DGAT1 (0.38) DGAT1AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL4962846 0.85 DGAT1 (0.42) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL15483985 0.84 HDAC4 (0.44) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL2793934 0.82 APP (0.48) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14712135 0.81 ALDH1A1 (0.39) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL348608 0.79 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2700643-B1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-23 EP disclosed
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 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 (6 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DGAT1 470/4885AKR1C3 43/4885AKR1C2 31/4885
US-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DGAT1 470/4885AKR1C3 43/4885AKR1C2 31/4885
US-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DGAT1 611/4885AKR1C3 47/4885AKR1C2 31/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DGAT1 470/4885AKR1C3 43/4885AKR1C2 31/4885
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 DGAT1 118/4885AKR1C3 632/4885AKR1C2 695/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DGAT1 470/4885AKR1C3 43/4885AKR1C2 31/4885

“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.