SCHEMBL717538

SCHEMBL717538

CCC1CCC(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 2/20 0.51
PKM P14618 4/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12169328 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL12169326 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL8879797 0.76 CYP2D6 (0.66) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL7461134 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL2474562 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL12228354 0.76 LMNA (0.71) ALDH1A1PKMHTTPOLBKMT2A
SCHEMBL14086755 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL719913 0.75 TP53 (0.45) ALDH1A1HTTKMT2AMEN1LMNA
SCHEMBL13888771 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EPKMPOLBKMT2A
SCHEMBL3868079 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EPKMHTTPOLB

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 ALDH1A1 1093/4885KDM4E 2180/4885PKM 2553/4885

“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.