SCHEMBL4784720

SCHEMBL4784720

CCn1cnc(C(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ADRB3 P13945 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 5/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35

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
SCHEMBL7464070 0.86 ADRB3 (0.46) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL22040159 0.84 JMJD6 (0.45) HTTALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL4672515 0.84 NOTUM (0.44) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL15199612 0.83 ADRB3 (0.44) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL29224325 0.82 ADRB3 (0.44) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL31728124 0.81 NOTUM (0.43) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL23588215 0.81 NOTUM (0.40) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL6854963 0.81 NOTUM (0.40) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL18366836 0.81 ADRB3 (0.41) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL21202361 0.80 NOTUM (0.42) NOTUMADRB3TMEM97HRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
CN-116082254-B Preparation method of 1-alkyl-1, 2, 4-triazole-3-methanol 浙江永太科技股份有限公司 2025-04-11 CN disclosed
CN-116082254-A Preparation method of 1-alkyl-1, 2, 4-triazole-3-methanol 浙江永太科技股份有限公司 2023-05-09 CN disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
US-11066399-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-07-20 US disclosed
US-20210139472-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-13 US disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 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 (3 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-20210139472-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 NOTUM 2730/4885ADRB3 2996/4885TMEM97 705/4885
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L NOTUM 464/4885ADRB3 1829/4885TMEM97 4248/4885
US-11066399-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 NOTUM 2679/4885ADRB3 2627/4885TMEM97 880/4885

“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.