SCHEMBL1163045

SCHEMBL1163045

COc1c(F)ccc2c1c(CCNCCc1ccccc1)cn2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.43
HASPIN Q8TF76 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR2A P28223 2/20 0.37
SLC2A1 P11166 1/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
GNRHR P30968 1/20 0.37
ABCB1 P08183 1/20 0.37
SIGMAR1 Q99720 3/20 0.36

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
SCHEMBL1163826 0.93 ADRB2 (0.48) ADRB2HTR2ASLC2A1BCHEABCB1
SCHEMBL1163108 0.92 ADRB2 (0.45) ADRB2HASPINKMT2AMEN1HTR2A
SCHEMBL19651874 0.89 ADRB2 (0.40) ADRB2HASPINNQO2MTNR1AMTNR1B
SCHEMBL1163793 0.89 HASPIN (0.40) ADRB2HASPINKMT2AMEN1SLC2A1
SCHEMBL1163044 0.81 KMT2A (0.41) ADRB2KMT2AMEN1NQO2MTNR1A
SCHEMBL1163616 0.81 THRB (0.40) ADRB2HASPINKMT2AMEN1BCHE
SCHEMBL1163581 0.80 ADRB2 (0.43) ADRB2KMT2AMEN1NQO2MTNR1A
SCHEMBL19651934 0.80 ADRB2 (0.41) ADRB2KMT2AMEN1NQO2MTNR1A
SCHEMBL1163043 0.80 TAAR1 (0.39) HASPINKMT2AMEN1CYP3A4SIGMAR1
SCHEMBL1163427 0.79 THRB (0.51) ADRB2KMT2AMEN1NQO2MTNR1A

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
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ADRB2 613/4885HASPIN 1573/4885KMT2A 3140/4885

“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.