SCHEMBL18843840

SCHEMBL18843840

CCc1cnc(N2CCC(COc3ccc(C4=CCC(C(=O)O)CC4)cc3C)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.45
▸ DGAT1 O75907 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KIT P10721 1/20 0.34

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
SCHEMBL18825500 0.92 GPR119 (0.44) GPR119PTPN11
SCHEMBL18825338 0.91 GPR119 (0.43) GPR119
SCHEMBL20550596 0.91 GPR119 (0.46) GPR119DGAT1AOC3PTPN11TP53
SCHEMBL18843837 0.91 GPR119 (0.50) GPR119FFAR4
SCHEMBL18825409 0.90 GPR119 (0.43) GPR119SMN1; SMN2
SCHEMBL18843839 0.89 XDH (0.45) GPR119
SCHEMBL18825473 0.89 GPR119 (0.42) GPR119
SCHEMBL18825501 0.89 GPR119 (0.42) GPR119
SCHEMBL18601680 0.89 GPR119 (0.54) GPR119DGAT1AOC3PTPN11KIT
SCHEMBL18843848 0.89 GPR119 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723699-B2 Cyclohexene derivative, preparation method thereof, and pharmaceutical composition for preventing or treating metabolic disease comprising the same as active ingredient HYUNDAI PHARM CO., LTD. (KR) 2020-07-28 — — US disclosed
US-10723699-B2 Cyclohexene derivative, preparation method thereof, and pharmaceutical composition for preventing or treating metabolic disease comprising the same as active ingredient HYUNDAI PHARM CO., LTD. (KR) 2020-07-28 — — US disclosed
US-20180318274-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASE COMPRISING THE SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2018-11-08 — — US disclosed
WO-2017078352-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASE COMPRISING THE SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2017-05-11 — — WO 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 (2 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-10723699-B2 Cyclohexene derivative, preparation method thereof, and pharmaceutical composition for preventing or treating metabolic disease comprising the same as active ingredient GPR119, GLP1R, GCGR GPR119 1/4885DGAT1 454/4885AOC3 4129/4885
US-20180318274-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASE COMPRISING THE SAME AS ACTIVE INGREDIENT GPR119, GLP1R, GCGR GPR119 1/4885DGAT1 454/4885AOC3 4129/4885

“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.

Send feedback