SCHEMBL17570347

SCHEMBL17570347

CC(C)CNCc1ccc(N2CCCC(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ NOTUM Q6P988 7/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ BCL9 O00512 2/20 0.44
▸ CTNNB1 P35222 2/20 0.44
▸ F2 P00734 2/20 0.43
▸ F10 P00742 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ SERPINE1 P05121 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL16127984 0.87 NOTUM (0.49) KMT2ANOTUMBCL9CTNNB1F2
SCHEMBL10299420 0.82 NOTUM (0.55) KMT2ANOTUMKDM4EALDH1A1MEN1
SCHEMBL19618236 0.82 DPP7 (0.42) KMT2AOPRM1OPRK1KDM4EALDH1A1
SCHEMBL4961935 0.74 NOTUM (0.81) KMT2ANOTUMKDM4EALDH1A1MEN1
SCHEMBL613112 0.74 NOTUM (0.81) KMT2ANOTUMKDM4EALDH1A1MEN1
SCHEMBL27671612 0.73 NOTUM (0.56) KMT2ANOTUMKDM4EALDH1A1MEN1
SCHEMBL16695575 0.73 NOTUM (0.82) NOTUM
SCHEMBL20271115 0.73 NOTUM (0.82) KMT2ANOTUMKDM4EALDH1A1MEN1
SCHEMBL10174567 0.72 ALDH1A1 (0.51) KMT2AF10KDM4EALDH1A1MEN1
SCHEMBL4490863 0.72 SYK (0.48) KMT2ANOTUMKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — 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 (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-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KMT2A 2649/4885NOTUM 243/4885OPRM1 3838/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KMT2A 2649/4885NOTUM 243/4885OPRM1 3838/4885

“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.

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