SCHEMBL23898720

SCHEMBL23898720

COC(=O)CC1N(C(=O)OC(C)(C)C)CCC1(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
BRD4 O60885 1/20 0.32
USP2 O75604 1/20 0.32
NR1H2 P55055 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23886176 1.00 SMN1; SMN2 (0.33) SMN1; SMN2EPHX2DDB1CRBNHSD17B10
SCHEMBL23886334 0.86 HSD17B10 (0.36) SMN1; SMN2DDB1CRBNHSD17B10CTSK
SCHEMBL16914071 0.83 NR1H2 (0.40) SMN1; SMN2HSD17B10CTSKUSP2NR1H2
SCHEMBL31291169 0.82 DDB1 (0.33) SMN1; SMN2EPHX2DDB1CRBNHSD17B10
SCHEMBL23091592 0.82 SMN1; SMN2 (0.34) SMN1; SMN2EPHX2HSD17B10CTSKUSP2
SCHEMBL28731360 0.82 SMN1; SMN2 (0.34) SMN1; SMN2EPHX2HSD17B10CTSKUSP2
SCHEMBL16914271 0.76 NR1H2 (0.35) SMN1; SMN2EPHX2HSD17B10EPHX1USP2
SCHEMBL16224365 0.75 USP2 (0.38) SMN1; SMN2EPHX2HSD17B10CTSKUSP2
SCHEMBL23438299 0.75 KDM1A (0.36) SMN1; SMN2EPHX2NR1H2
SCHEMBL29997875 0.74 NR1H2 (0.45) NR1H2

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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
CN-115380030-A N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2022-11-22 CN disclosed
WO-2021202781-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 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 (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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 SMN1; SMN2 696/4885EPHX2 3072/4885DDB1 4738/4885

“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.