SCHEMBL10363

SCHEMBL10363

C[C@@H](Oc1ccc(N)cn1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KEAP1 Q14145 1/20 0.43
ALDH1A1 P00352 2/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LIPE Q05469 2/20 0.38
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CHRNA7 P36544 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL11289 1.00 KDM4E (0.44) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL743471 1.00 KDM4E (0.44) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL1362620 0.82 KDM4E (0.50) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL23600940 0.81 CCR1 (0.38) KDM4EALDH1A1HSD17B10LIPEGPR88
SCHEMBL29499578 0.81 LIPE (0.36) KDM4EMEN1KMT2AALDH1A1LIPE
SCHEMBL21312156 0.80 KDM4E (0.47) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL5108 0.80 ALDH1A1 (0.49) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL24721014 0.79 LIPE (0.36) ALDH1A1LIPECHRNA7PIM1PIM2
SCHEMBL22711899 0.79 THRB (0.36) KDM4EALDH1A1LIPEGPR88CYP11B1
SCHEMBL23116138 0.79 THRB (0.36) KDM4EALDH1A1LIPEGPR88CYP11B1

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 11 patents. 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-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-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP 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 (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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 KDM4E 817/4885POLB 2199/4885RAB9A 421/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE KDM4E 3143/4885POLB 4798/4885RAB9A 4456/4885

“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.