SCHEMBL3884741

SCHEMBL3884741

O=C(COCCc1c(Cl)cccc1Cl)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRM5 P41594 4/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3883627 0.86 CCR3 (0.42) KMT2AMEN1SMN1; SMN2GRM5POLB
SCHEMBL4140217 0.86 GRM5 (0.44) KMT2AMEN1GRM5POLBMAPT
SCHEMBL3885528 0.85 POLB (0.57) KMT2AMEN1SMN1; SMN2GRM5POLB
SCHEMBL3886869 0.77 HRH3 (0.42) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4126667 0.74 CHRM2 (0.44) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL3886789 0.73 AKR1B1 (0.53) KMT2AMEN1SMN1; SMN2POLBHTR2C
SCHEMBL25218628 0.71 NPSR1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL48051 0.70 KMT2A (0.47) KMT2AMEN1KDM4E
SCHEMBL47967 0.69 SLC5A1 (0.36) MAPTALDH1A1NPC1RAB9A
SCHEMBL47978 0.69 SIGMAR1 (0.59) SMN1; SMN2GRM5MAPTALDH1A1

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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KMT2A 1329/4885MEN1 1450/4885SMN1; SMN2 4328/4885

“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.