SCHEMBL10000659

SCHEMBL10000659

CN(CCCO)CCc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
GFER P55789 1/20 0.45
MAOB P27338 4/20 0.41
MAPT P10636 1/20 0.40
MAOA P21397 2/20 0.39
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL3725858 0.89 SIGMAR1 (0.57) SIGMAR1GFERMAOBMAPTMAOA
SCHEMBL13897016 0.87 SIGMAR1 (0.58) SIGMAR1GFERMAOBMAPTMAOA
SCHEMBL9627913 0.87 SIGMAR1 (0.66) SIGMAR1GFERMAOBMAOAKCNH2
SCHEMBL5205808 0.84 MAPT (0.49) SIGMAR1MAOBMAPTTMEM97
SCHEMBL25047608 0.82 SIGMAR1 (0.66) SIGMAR1TMEM97THRATHRB
SCHEMBL25046697 0.82 TAAR1 (0.58) SIGMAR1
SCHEMBL26985749 0.81 SIGMAR1 (0.70) SIGMAR1TMEM97
SCHEMBL13593460 0.81 SIGMAR1 (0.54) SIGMAR1GFERMAPTKCNH2THRA
SCHEMBL9671108 0.79 KCNH2 (0.57) SIGMAR1KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL5133086 0.79 SIGMAR1 (0.47) SIGMAR1KCNH2TMEM97THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127130-A1 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-05-08 US disclosed
US-20140127130-A1 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-05-08 US disclosed
US-8629299-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-01-14 US disclosed
US-8629299-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-01-14 US disclosed
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2013-10-03 US disclosed
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2013-10-03 US disclosed
US-8445721-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2013-05-21 US disclosed
US-8445721-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2013-05-21 US disclosed
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2012-07-05 US disclosed
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2012-07-05 US disclosed
US-8148575-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2012-04-03 US disclosed
US-8148575-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2012-04-03 US disclosed
US-20090087379-A1 Radiofluorinated Compounds and their Preparation HAMMERSMITH IMANET LIMITED (GB) 2009-04-02 US disclosed
US-20090087379-A1 Radiofluorinated Compounds and their Preparation HAMMERSMITH IMANET LIMITED (GB) 2009-04-02 US disclosed
WO-2007122488-A2 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2007-11-01 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 (4 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-20090087379-A1 Radiofluorinated Compounds and their Preparation PSMA5, MPI, PSMA3 SIGMAR1 1641/4885GFER 1938/4885MAOB 2050/4885
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 SIGMAR1 1641/4885GFER 1938/4885MAOB 2050/4885
US-20140127130-A1 Radiofluorinated compounds and their preparation PSMA5, MPI, PSMA3 SIGMAR1 1641/4885GFER 1938/4885MAOB 2050/4885
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 SIGMAR1 1641/4885GFER 1938/4885MAOB 2050/4885

“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.