SCHEMBL22639906

SCHEMBL22639906

COc1ccc(CN2CCNCC2CCO)cc1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 1/20 0.55
CRHBP P24387 3/20 0.54
CRHR2 Q13324 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.42
DBH P09172 1/20 0.40

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
SCHEMBL22640056 1.00 TDP1 (0.57) TDP1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL19617763 0.82 SIGMAR1 (0.57) KMT2AALDH1A1L3MBTL1MAPTLMNA
SCHEMBL22640117 0.80 ALDH1A1 (0.52) KMT2AALDH1A1L3MBTL1MAPTGAA
SCHEMBL22640155 0.80 ALDH1A1 (0.52) KMT2AALDH1A1L3MBTL1MAPTGAA
SCHEMBL5190544 0.75 ALDH1A1 (0.56) KMT2AALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL23496876 0.75 SIGMAR1 (0.54) KMT2AALDH1A1LMNAGAA
SCHEMBL6008090 0.75 SIGMAR1 (0.54) KMT2AALDH1A1LMNAGAA
SCHEMBL3948948 0.75 SIGMAR1 (0.54) KMT2AALDH1A1LMNAGAA
SCHEMBL9842333 0.74 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL5190692 0.72 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1LMNAMAPK1

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 TDP1 2894/4885KMT2A 4613/4885CRHBP 1326/4885

“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.