SCHEMBL20240306

SCHEMBL20240306

N#Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.80
HRH3 Q9Y5N1 1/20 0.61
CYP19A1 P11511 2/20 0.60
GSTP1 P09211 2/20 0.59
FFAR1 O14842 2/20 0.56
GHSR Q92847 1/20 0.56
BACE1 P56817 1/20 0.56
AR P10275 1/20 0.55
RAB9A P51151 1/20 0.54
EGLN2 Q96KS0 1/20 0.52
MMP2 P08253 1/20 0.51
AKR1B1 P15121 1/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP13 P45452 1/20 0.51
ABCB1 P08183 1/20 0.50
HPGD P15428 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL1249162 1.00 MAOB (0.80) MAOBHRH3CYP19A1GSTP1FFAR1
SCHEMBL7372943 0.95 MAOB (0.89) MAOBHRH3CYP19A1GSTP1GHSR
SCHEMBL16841039 0.93 MAOB (0.72) MAOBHRH3CYP19A1GHSRRAB9A
SCHEMBL403151 0.89 MAOB (1.00) MAOBCYP19A1GSTP1GHSRAR
SCHEMBL8618909 0.89 MAOB (0.85) MAOBHRH3CYP19A1FFAR1GHSR
SCHEMBL18664184 0.87 MAOB (0.81) MAOBHRH3CYP19A1ARRAB9A
SCHEMBL29741480 0.87 MAOB (0.81) MAOBHRH3CYP19A1ARRAB9A
SCHEMBL7311874 0.86 MAOB (0.86) MAOBHRH3CYP19A1GHSRAR
SCHEMBL20240291 0.85 GSTP1 (0.58) MAOBCYP19A1GSTP1FFAR1GHSR
SCHEMBL28961976 0.84 MAOB (0.89) MAOBCYP19A1FFAR1GHSRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551611-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 EP disclosed
US-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-08-20 US disclosed
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
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 MAOB 2/4885HRH3 16/4885CYP19A1 247/4885
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, MAOB, LTB4R MAOB 2/4885HRH3 16/4885CYP19A1 247/4885

“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.