SCHEMBL25447007

SCHEMBL25447007

CC(=O)CC1(O)CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ AOC3 Q16853 4/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CRBN Q96SW2 4/20 0.37
▸ UBE2T Q9NPD8 1/20 0.37
▸ OGA O60502 1/20 0.37
▸ DDB1 Q16531 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL24126004 0.89 CRBN (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25447008 0.80 MAPT (0.58) ALDH1A1HPGDCRBNMAPTKDM4E
SCHEMBL3539822 0.79 CYP3A4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15651184 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13009756 0.79 CRBN (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27708997 0.76 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL736846 0.75 CASP6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3538626 0.74 RET (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21855186 0.73 HSD17B10 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.73 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 — — 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 (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-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 GRIN2D 4872/4885GRIN3B 4779/4885GRIN1 4820/4885

“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.

Send feedback