SCHEMBL22604371

SCHEMBL22604371

CC1(C)OB(c2ccc(N3CCN(CCO[Si](C)(C)C(C)(C)C)C3=O)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.38
DRD3 P35462 10/20 0.38
KCNH2 Q12809 5/20 0.38
DUT P33316 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP1A1 P04798 1/20 0.32
LARS1 Q9P2J5 1/20 0.32
S1PR1 P21453 1/20 0.32
DGAT1 O75907 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL22582347 0.81 DRD2 (0.42) DRD2DRD3KCNH2DUTGRIN1
SCHEMBL5660117 0.81 DRD2 (0.51) DRD2DRD3KCNH2RAB9A
SCHEMBL15465594 0.78 MAPT (0.36) DRD2DGAT1
SCHEMBL20911653 0.78 DRD2 (0.47) DRD2DRD3KCNH2CA1CA2
SCHEMBL20912151 0.78 FFAR1 (0.44) DRD2DRD3KCNH2S1PR1DGAT1
SCHEMBL16611640 0.74 CA1 (0.42) CA1CA2CA9RAB9ACA12
SCHEMBL21092937 0.74 LPL (0.40) RAB9A
SCHEMBL21808478 0.72 USP30 (0.34) DRD2DUT
SCHEMBL2823682 0.71 LIPG (0.56) DGAT1CA1CA2CA9
SCHEMBL14852607 0.70 LPL (0.42) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
CN-112585147-A MAP4K4 inhibitors 帝国科技及医学学院 2021-03-30 CN disclosed
US-20200339583-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 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-20200339583-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 DRD2 4784/4885DRD3 4792/4885KCNH2 2648/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 DRD2 4784/4885DRD3 4792/4885KCNH2 2648/4885

“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.