SCHEMBL20116157

SCHEMBL20116157

CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4cnn(C5COC5)c4c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
LRRK2 Q5S007 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
ATR Q13535 1/20 0.42
AURKB Q96GD4 1/20 0.42
HTT P42858 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL20676592 0.90 GPR119 (0.50) GPR119LRRK2PTPN2PTPN1PTPN6
SCHEMBL20676369 0.89 GPR119 (0.56) GPR119LRRK2PTPN2PTPN1PTPN6
SCHEMBL20676531 0.87 GPR119 (0.51) GPR119LRRK2PTPN2PTPN1PTPN6
SCHEMBL20676387 0.86 GPR119 (0.53) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20676330 0.86 GPR119 (0.49) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL22358260 0.84 GPR119 (0.49) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20117079 0.83 TLR8 (0.49) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20116041 0.83 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6PIK3CA
SCHEMBL20116530 0.82 GPR119 (0.48) GPR119LRRK2PTPN2PTPN1PTPN6
SCHEMBL20116147 0.82 GPR119 (0.48) GPR119LRRK2PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GPR119 2922/4885LRRK2 1347/4885PTPN2 3925/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GPR119 2922/4885LRRK2 1347/4885PTPN2 3925/4885

“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.