SCHEMBL21887296

SCHEMBL21887296

CC(C)(C)N1CCC2(CC1)c1nccnc1C[C@H]2N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PTPN11 Q06124 2/20 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
SCHEMBL24089033 1.00 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21845245 0.85 PTPN11 (0.34) PTPN11
SCHEMBL21887220 0.82 PTPN11 (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22393544 0.82
SCHEMBL24088877 0.82
SCHEMBL21887246 0.81 CYP2D6 (0.36) PTPN11
SCHEMBL22393723 0.81 CYP2D6 (0.36) PTPN11
SCHEMBL24088870 0.79 KCNH2 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21887293 0.79 KCNH2 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21887226 0.74 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2023-06-01 US disclosed
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2023-06-01 US disclosed
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-12-09 US disclosed
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-06-24 US disclosed
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors NIKANG THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-02-11 US disclosed
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-04-16 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 (6 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-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC GRIN2D 3730/4885GRIN3B 3231/4885CHRM2 4874/4885
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors SRC, PTPRCAP, PTPRC GRIN2D 3730/4885GRIN3B 3231/4885CHRM2 4874/4885
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC GRIN2D 3602/4885GRIN3B 3133/4885CHRM2 4870/4885
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPN2 GRIN2D 3510/4885GRIN3B 2830/4885CHRM2 4855/4885
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC GRIN2D 3730/4885GRIN3B 3231/4885CHRM2 4874/4885
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC GRIN2D 3730/4885GRIN3B 3231/4885CHRM2 4874/4885

“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.