SCHEMBL719906

SCHEMBL719906

CCc1cnc(OC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.39
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 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
SCHEMBL719956 0.89 CYP2D6 (0.51) CYP2D6CYP1A2GPR119ALDH1A1CYP3A4
SCHEMBL718466 0.83 CYP2D6 (0.51) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL720580 0.80 GPR119 (0.38) GPR119
SCHEMBL657896 0.78 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL10376015 0.78 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL8445071 0.77 CA2 (0.48) CYP2D6CYP1A2ALDH1A1LMNAL3MBTL1
SCHEMBL16084939 0.76 CYP2D6 (0.57) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL21055449 0.72 CYP2D6 (0.51) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL21055451 0.72 CYP2D6 (0.51) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL10052757 0.72 ALDH1A1 (0.35) RXRAGRIN1GRIN2BGPR119ALDH1A1

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-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 CYP2D6 1423/4885CYP1A2 2377/4885RXRA 1623/4885

“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.