SCHEMBL21246950

SCHEMBL21246950

CC1(O)CCN(CCCBr)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
DRD2 P14416 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
S1PR4 O95977 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28477707 0.83 DRD2 (0.36) S1PR1S1PR3S1PR5DRD2HRH3
SCHEMBL3298160 0.79 S1PR1 (0.38) S1PR1S1PR3S1PR5DRD2HRH3
SCHEMBL28366130 0.79 S1PR1 (0.38) S1PR1S1PR3S1PR5DRD2HRH3
SCHEMBL21246968 0.79 NOS3 (0.32) S1PR1S1PR3S1PR5HRH3
SCHEMBL25698068 0.78 DRD2 (0.36) DRD2
SCHEMBL22096471 0.78 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL19606301 0.78 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL22096478 0.78 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL24134155 0.76 CARM1 (0.42) S1PR1S1PR3S1PR5DRD2HRH3
SCHEMBL21792822 0.76 GBA1 (0.40) S1PR1S1PR3S1PR5DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP disclosed
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-08-09 US disclosed
CN-111788207-B Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-03-23 CN disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP disclosed
CN-111788207-A Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2020-10-16 CN disclosed
WO-2019154133-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-08-15 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-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof KDR, MET, ABL1 S1PR1 1316/4885S1PR3 1249/4885S1PR5 1041/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 S1PR1 1316/4885S1PR3 1249/4885S1PR5 1041/4885

“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.