SCHEMBL17700334

SCHEMBL17700334

CC(C)(C)OC(=O)N1CCC(COc2cc(C#N)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
MGLL Q99685 1/20 0.51
FAAH O00519 1/20 0.50
HDAC1 Q13547 1/20 0.47
CHEK2 O96017 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL29650137 1.00 GPR119 (0.52) GPR119MGLLFAAHHDAC1CHEK2
SCHEMBL30485980 0.91 GPR119 (0.49) GPR119MGLLFAAHIRAK4
SCHEMBL27226467 0.86 GPR119 (0.61) GPR119MGLL
SCHEMBL3397468 0.86 FAAH (0.50) GPR119FAAHHDAC1CHEK2
SCHEMBL29039936 0.85 FAAH (0.49) GPR119FAAHHDAC1CHEK2
SCHEMBL31490060 0.84 HDAC1 (0.49) GPR119FAAHHDAC1CHEK2
SCHEMBL17700854 0.84 HDAC1 (0.49) GPR119FAAHHDAC1CHEK2
SCHEMBL24493394 0.83 GPR119 (0.46) GPR119MGLLIRAK4
SCHEMBL30578231 0.83 GPR119 (0.46) GPR119MGLLIRAK4
SCHEMBL29650101 0.83 SLC2A1 (0.49) GPR119FAAHHDAC1CHEK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059691-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 US disclosed
EP-4255900-A2 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-10-11 EP disclosed
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
CN-116462661-A Deuterated 3- (pyridin-4-yl) propionic acid compound, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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 (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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 GPR119 2/4885MGLL 932/4885FAAH 3025/4885
US-20240059691-A1 ENZYME INHIBITORS SERPINB1, XDH, ACE GPR119 1423/4885MGLL 914/4885FAAH 605/4885

“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.