SCHEMBL1786896

SCHEMBL1786896

[CH2]CNC1CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
SIGMAR1 Q99720 4/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.42
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL8357133 0.77 MAPT (0.46) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4067246 0.77 DPP4 (0.42) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL17846422 0.76 MAPT (0.44) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL10312481 0.74 EPHX2 (0.44) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8040794 0.74 EPHX2 (0.44) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL17456133 0.74 MAPT (0.43) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8777054 0.72 DPP4 (0.45) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL2396461 0.72 EPHX2 (0.45) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL5988119 0.71 DPP4 (0.55) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL5987777 0.70 DPP4 (0.54) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R EPHX2 4658/4885SIGMAR1 338/4885GRIN2D 977/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R EPHX2 3169/4885SIGMAR1 1150/4885GRIN2D 3887/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R EPHX2 1891/4885SIGMAR1 1953/4885GRIN2D 3388/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R EPHX2 4658/4885SIGMAR1 338/4885GRIN2D 977/4885

“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.