SCHEMBL21709573

SCHEMBL21709573

CCC(C)(C)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SIGMAR1 Q99720 2/20 0.33
KHK P50053 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GNAO1 P09471 1/20 0.31
USP2 O75604 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL25094778 0.87 TSHR (0.39) TSHRSIGMAR1POLBUSP2
SCHEMBL19226645 0.83 TSHR (0.43) TSHRSIGMAR1POLBUSP2
SCHEMBL14044233 0.81 TSHR (0.35) TSHRSIGMAR1POLB
SCHEMBL3993856 0.81 SIGMAR1 (0.37) TSHRSIGMAR1KHKL3MBTL3L3MBTL1
SCHEMBL21038319 0.80 HTR6 (0.46) TSHRSIGMAR1POLBUSP2TLR9
SCHEMBL21214477 0.76 L3MBTL1 (0.36) TSHRSIGMAR1L3MBTL3L3MBTL1
SCHEMBL6627321 0.76 POLB (0.32) SIGMAR1POLBGNAO1
SCHEMBL22921130 0.76 L3MBTL3 (0.38) TSHRL3MBTL3L3MBTL1
SCHEMBL19226796 0.76 SIGMAR1 (0.36) TSHRSIGMAR1
SCHEMBL3159987 0.76 HTR6 (0.41) TSHRKHKL3MBTL3L3MBTL1

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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TSHR 3168/4885SIGMAR1 3576/4885KHK 1084/4885

“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.