SCHEMBL15224086

SCHEMBL15224086

CCCN1CCN(CCOCCOC(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SLC18A3 Q16572 1/20 0.42
▸ HRH1 P35367 3/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL15224088 0.88 SLC18A3 (0.47) ALDH1A1TSHRSLC18A3HRH1HRH2
SCHEMBL8312795 0.82 ALDH1A1 (0.55) ALDH1A1TSHRSLC18A3HRH1HRH2
SCHEMBL7422727 0.81 MEN1 (0.51) ALDH1A1TSHRSLC18A3HRH1HRH2
SCHEMBL9328257 0.81 — —
SCHEMBL20609092 0.81 SLC18A3 (0.56) ALDH1A1TSHRSLC18A3HRH1MEN1
SCHEMBL15223837 0.80 SLC18A3 (0.50) ALDH1A1TSHRSLC18A3HRH1KDM4E
SCHEMBL9660752 0.79 ALDH1A1 (0.52) ALDH1A1SLC18A3HRH1HRH2
SCHEMBL8148114 0.78 SLC18A3 (0.50) ALDH1A1TSHRSLC18A3HRH1KDM4E
SCHEMBL5308772 0.77 TLR8 (0.42) ALDH1A1TSHRHRH1HRH2
SCHEMBL21440365 0.77 DRD2 (0.39) ALDH1A1HRH1HRH2KDM4E

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
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 — — US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 — — US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 — — US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 — — 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 (3 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885

“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.

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