SCHEMBL722586

SCHEMBL722586

CCc1cnc(OC2CCC(c3nc(CNCc4ccc(S(C)(=O)=O)cc4)cs3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.39
AVPR1B P47901 3/20 0.35
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PTGS2 P35354 1/20 0.33
GHSR Q92847 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL720919 0.90 GPR119 (0.39) GPR119PTGS2GHSR
SCHEMBL720852 0.86 GPR119 (0.51) GPR119PTGS2MEN1LMNAPKM
SCHEMBL718508 0.80 GPR119 (0.49) GPR119
SCHEMBL719659 0.80 GPR119 (0.49) GPR119
SCHEMBL718507 0.80 GPR119 (0.49) GPR119
SCHEMBL719546 0.77 RAB9A (0.40) GPR119
SCHEMBL721511 0.77 GPR119 (0.46) GPR119LMNAPKM
SCHEMBL717665 0.74 KMT2A (0.43) GPR119MEN1LMNAKMT2A
Tert-Butyl Formate SCHEMBL27789521 0.73 AOC3 (0.44) AVPR1BOXTRAVPR1AJAK2JAK1
SCHEMBL719355 0.73 GPR119 (0.38) 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 1/4885AVPR1B 340/4885OXTR 1291/4885

“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.