SCHEMBL2565623

SCHEMBL2565623

CN(CCCOCCCCCCN)c1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.52
MTNR1B P49286 14/20 0.52
PARP1 P09874 3/20 0.38
ADRA2C P18825 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PARP10 Q53GL7 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL2569631 0.95 MTNR1A (0.52) MTNR1AMTNR1BPARP1ADRA2CTHRA
SCHEMBL2565315 0.82 OPRM1 (0.48)
SCHEMBL19665946 0.79 NPC1 (0.44) MTNR1AMTNR1BPARP1THRATHRB
SCHEMBL19665956 0.79 NPC1 (0.44) MTNR1AMTNR1BPARP1THRATHRB
SCHEMBL2566701 0.79 ACHE (0.46)
SCHEMBL2560296 0.77 OPRM1 (0.48)
SCHEMBL294705 0.73 PARP1 (0.55) PARP1PARP10
SCHEMBL3110681 0.72 PARP1 (0.50) PARP1ADRA2CPARP10
SCHEMBL27473655 0.72 THRA (0.42) PARP1THRATHRB
SCHEMBL14791423 0.72 PRSS1 (0.62) PARP1PARP10

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
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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 (1 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 MTNR1A 75/4885MTNR1B 37/4885PARP1 3735/4885

“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.