SCHEMBL5361609

SCHEMBL5361609

COc1cc(Br)c(CC#N)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
HTR2A P28223 6/20 0.42
TAAR1 Q96RJ0 3/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 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
SCHEMBL955354 0.89 HTR2A (0.44) HTR2ATAAR1HTR2CCA12CA1
SCHEMBL14811235 0.82 HTR2A (0.47) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL5355957 0.80 PDE4A (0.46) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL6617951 0.80 HTR2A (0.45) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL5354491 0.80 HTR2A (0.45) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL14581250 0.78 SMN1; SMN2 (0.49) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL5350260 0.77 HTR2A (0.43) HTR2ATAAR1LMNAMAPTNPSR1
SCHEMBL4750246 0.77 SMN1; SMN2 (0.45) HTR2ATAAR1LMNAHTR2CCA12
SCHEMBL5355549 0.76 PRKDC (0.44) HPGDHTR2ATAAR1LMNAMAPT
SCHEMBL333776 0.72 HTR2A (0.46) HTR2ATAAR1LMNAHTR2CCA12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
EP-1181294-B1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-03-31 EP disclosed
US-20030199493-A1 Novel derivatives and analogues of galanthamin SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2003-10-23 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 (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-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 HPGD 1021/4885HTR2A 123/4885TAAR1 383/4885
US-20030199493-A1 Novel derivatives and analogues of galanthamin GALR1, GALNT1, GALK1 HPGD 1506/4885HTR2A 1682/4885TAAR1 3997/4885

“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.