SCHEMBL19396394

SCHEMBL19396394

CN(C)CCN(CCN(C)C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8137111 0.89 RIPK1 (0.41) RIPK1DRD4OPRM1DRD3CHRM2
SCHEMBL27043895 0.82 RIPK1 (0.44) RIPK1DRD4OPRM1DRD3MAPT
SCHEMBL15222976 0.82 RIPK1 (0.33) RIPK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10223186 0.77 DRD4 (0.38) RIPK1DRD4OPRM1DRD3MAPT
SCHEMBL12392730 0.77 KDM4E (0.46) RIPK1DRD4OPRM1DRD3MEN1
SCHEMBL24476085 0.74 RIPK1 (0.40) RIPK1DRD4OPRM1DRD3CHRM1
SCHEMBL15223004 0.73 RIPK1 (0.37) RIPK1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL26293212 0.72 MAPT (0.36) DRD4OPRM1DRD3CHRM2CHRM4
SCHEMBL21245456 0.72 MAPT (0.36) DRD4OPRM1DRD3CHRM2CHRM4
SCHEMBL1712608 0.72 MAPT (0.46) RIPK1DRD4OPRM1DRD3CHRNB2

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-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 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 (5 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 RIPK1 4311/4885DRD4 2817/4885OPRM1 4148/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RIPK1 4311/4885DRD4 2817/4885OPRM1 4148/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RIPK1 4311/4885DRD4 2817/4885OPRM1 4148/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L RIPK1 4405/4885DRD4 2789/4885OPRM1 3850/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RIPK1 4311/4885DRD4 2817/4885OPRM1 4148/4885

“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.