SCHEMBL717550

SCHEMBL717550

CCc1cnc(OC2CCC(N)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.36
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ACACB O00763 6/20 0.33
RXRA P19793 6/20 0.33
GRIN1 Q05586 6/20 0.33
GRIN2B Q13224 6/20 0.33
MAPKAPK2 P49137 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL10052757 0.85 ALDH1A1 (0.35) ACACBRXRAGRIN1GRIN2BHCRTR1
SCHEMBL719387 0.83 PDE10A (0.35) ACACBRXRAGRIN1GRIN2BHCRTR1
SCHEMBL721431 0.80 ACACB (0.35) ACACBHCRTR1HCRTR2
SCHEMBL942192 0.80 HRH1 (0.40) IRAK4
SCHEMBL717505 0.80 ACACB (0.33) ACACBRXRAGRIN1GRIN2B
SCHEMBL10052758 0.80 ACACB (0.31) ACACBRXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL2773745 0.79 HRH1 (0.39) IRAK4
SCHEMBL720181 0.79 PDE10A (0.37) ACACBRXRAGRIN1GRIN2BHCRTR1
SCHEMBL720580 0.78 GPR119 (0.38) ACACBHCRTR1HCRTR2GPR119
SCHEMBL720806 0.78 ACACB (0.40) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR SMYD3 4531/4885IRAK1 917/4885IRAK4 1337/4885

“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.