SCHEMBL3544000

SCHEMBL3544000

CN1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DYRK1A Q13627 5/20 0.45
WNT1 P04628 3/20 0.45
USP30 Q70CQ3 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
DRD3 P35462 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
CHRM5 P08912 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR1F P30939 1/20 0.42
HTR7 P34969 1/20 0.42
OPRK1 P41145 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL21593324 0.86 POLB (0.51) L3MBTL1POLBKMT2ATAS1R3TAS1R1
SCHEMBL4514465 0.82 ACKR3 (0.54) ACKR3DYRK1AWNT1USP30ALDH1A1
SCHEMBL21593285 0.78 POLB (0.47) L3MBTL1POLBKMT2ATAS1R3TAS1R1
SCHEMBL24169417 0.77 POLB (0.47) POLBTAS1R3TAS1R1TAS1R2
SCHEMBL25175129 0.77 ACKR3 (0.43) ACKR3DYRK1AWNT1ALDH1A1KMT2A
SCHEMBL31642356 0.77 HPGD (0.55) L3MBTL1ALDH1A1POLBKMT2ATAS1R3
SCHEMBL21593325 0.76 DRD3 (0.47) L3MBTL1ALDH1A1POLBKMT2ADRD3
SCHEMBL3536496 0.75 HPGD (0.60) ACKR3DYRK1AWNT1ALDH1A1KMT2A
SCHEMBL20551505 0.75 NPSR1 (0.54) ALDH1A1
SCHEMBL20069732 0.74 L3MBTL1 (0.57) L3MBTL1DYRK1AWNT1USP30ALDH1A1

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
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ACKR3 2084/4885L3MBTL1 4825/4885DYRK1A 4821/4885

“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.