SCHEMBL719749

SCHEMBL719749

CCc1cnc(OC2CCC(C(=O)N3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
PRKAA2 P54646 3/20 0.43
LTA4H P09960 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL717665 0.79 KMT2A (0.43) KMT2ALMNAGPR119
SCHEMBL722541 0.71 GPR119 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL720806 0.71 ACACB (0.40) ALDH1A1
SCHEMBL14456802 0.69 L3MBTL1 (0.60) KMT2AALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL720225 0.69 GPR119 (0.44) GPR119
SCHEMBL3243725 0.69 L3MBTL1 (0.89) KMT2AALDH1A1L3MBTL1LMNATSHR
SCHEMBL720580 0.68 GPR119 (0.38) GPR119
SCHEMBL2927109 0.68 GPR119 (0.57) GPR119
SCHEMBL2927105 0.68 GPR119 (0.57) GPR119
SCHEMBL14456754 0.68 KMT2A (0.63) KMT2AALDH1A1L3MBTL1LMNA

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 KMT2A 3229/4885ALDH1A1 1093/4885L3MBTL1 2535/4885

“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.