SCHEMBL19795802

SCHEMBL19795802

N#CN1CCC(c2nc(CCc3ccc(-n4cnnn4)cc3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.51
AOC3 Q16853 1/20 0.39
KCNJ1 P48048 6/20 0.38
KCNH2 Q12809 5/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
USP30 Q70CQ3 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL3488656 0.85 GPR119 (0.67) GPR119MAPTUSP2ALDH1A1HPGD
SCHEMBL3488577 0.69 GPR119 (0.70) GPR119MAPTALDH1A1HPGD
SCHEMBL1662735 0.69 GPR119 (0.78) GPR119MAPTUSP2ALDH1A1HPGD
SCHEMBL1118284 0.69 GPR119 (0.71) GPR119TP53MAPTALDH1A1HPGD
SCHEMBL3488667 0.69 GPR119 (0.73) GPR119MAPTUSP2ALDH1A1HPGD
SCHEMBL3489235 0.69 GPR119 (0.78) GPR119MAPTUSP2ALDH1A1HPGD
SCHEMBL3488276 0.68 GPR119 (0.88) GPR119TP53MAPT
SCHEMBL1118437 0.68 GPR119 (0.66) GPR119AOC3MAPTUSP2ALDH1A1
SCHEMBL3489736 0.68 GPR119 (0.46) GPR119AOC3ALDH1A1HTT
SCHEMBL1118273 0.68 GPR119 (0.69) GPR119TP53MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021335-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2018-01-25 US disclosed
US-20180021335-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2018-01-25 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-20180021335-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R GPR119 1/4885AOC3 2070/4885KCNJ1 1458/4885

“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.