SCHEMBL718371

SCHEMBL718371

CCc1cnc(OC2CCC(n3cc(COc4ccc(S(C)(=O)=O)cc4)nn3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
RXRA P19793 13/20 0.41
GRIN1 Q05586 13/20 0.41
GRIN2B Q13224 13/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL718521 0.91 LOXL2 (0.42) GPR119RXRAGRIN1GRIN2BLOXL2
SCHEMBL720485 0.89 LOXL2 (0.43) RXRAGRIN1GRIN2BLOXL2CA12
SCHEMBL722541 0.78 GPR119 (0.48) GPR119CA12CA1CA2CA9
SCHEMBL720852 0.76 GPR119 (0.51) GPR119
Tert-Butyl Formate SCHEMBL28786710 0.72 LOXL2 (0.44) GPR119RXRAGRIN1GRIN2BLOXL2
SCHEMBL4289925 0.72 GPR119 (0.61) GPR119
SCHEMBL16242409 0.70 GPR119 (0.46) GPR119LOXL2
SCHEMBL720225 0.68 GPR119 (0.44) GPR119
SCHEMBL719914 0.68 CA12 (0.42) GPR119CA12CA1CA2CA9
SCHEMBL717665 0.67 KMT2A (0.43) GPR119

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 GPR119 1/4885RXRA 1623/4885GRIN1 1031/4885

“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.