SCHEMBL2794118

SCHEMBL2794118

NCCc1ccc(OCCCC(F)(F)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.51
▸ LTA4H P09960 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL2792939 0.93 MAOB (0.52) MAOBLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL2797735 0.84 MAOB (0.55) MAOBSMN1; SMN2HTR2ATAAR1
SCHEMBL8381114 0.81 LTA4H (0.50) MAOBLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL2794517 0.79 LTA4H (0.37) MAOBLTA4HSMN1; SMN2
SCHEMBL13886620 0.78 HTR2A (0.68) LTA4HNPC1RAB9ASMN1; SMN2HTR2A
SCHEMBL1586637 0.77 HTR2A (0.66) MAOBLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL13886600 0.76 NPC1 (0.76) LTA4HNPC1RAB9ASMN1; SMN2HTR2A
SCHEMBL450741 0.75 HTR2A (0.63) MAOBLTA4HNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL9512696 0.75 NPC1 (0.73) LTA4HNPC1RAB9ASMN1; SMN2HTR2A
Hydrochloric Acid SCHEMBL4450595 0.75 NPC1 (0.73) MAOBLTA4HNPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 — — US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 — — EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 — — US disclosed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 — — EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 — — 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 (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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C MAOB 514/4885LTA4H 1144/4885NPC1 2148/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C MAOB 514/4885LTA4H 1144/4885NPC1 2148/4885

“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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