SCHEMBL20249529

SCHEMBL20249529

NCCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.65
▸ MAOB P27338 7/20 0.65
▸ GSTP1 P09211 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ LTA4H P09960 1/20 0.56
▸ PLA2G2A P14555 1/20 0.56

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
SCHEMBL566543 0.91 MAOB (0.71) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL4449735 0.89 MAOB (0.73) MAOBGAAMAPTMAOARAB9A
SCHEMBL7349864 0.86 MAOB (0.64) FFAR1MAOBGSTP1LTA4HPLA2G2A
SCHEMBL20240299 0.86 MAOB (0.79) FFAR1MAOBGSTP1GAAMAPT
Hydrochloric Acid SCHEMBL2568656 0.85 MAOB (0.65) FFAR1MAOBGSTP1LTA4HPLA2G2A
SCHEMBL23483029 0.83 LMNA (0.69) FFAR1MAOBGSTP1GAAMAPT
SCHEMBL12285274 0.83 GSTP1 (0.68) FFAR1MAOBGSTP1GAAMAPT
SCHEMBL23665904 0.83 GSTP1 (0.68) FFAR1MAOBGSTP1GAAMAPT
SCHEMBL1096817 0.83 LMNA (0.69) FFAR1MAOBGSTP1GAAMAPT
SCHEMBL172790 0.83 TAAR1 (0.71) MAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-08-20 — — US disclosed
WO-2018107158-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 — — WO disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — US disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — 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-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, MAOB, LTB4R FFAR1 504/4885MAOB 2/4885GSTP1 2718/4885
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, MAOB, LTB4R FFAR1 504/4885MAOB 2/4885GSTP1 2718/4885

“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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