SCHEMBL5014910

SCHEMBL5014910

CCOc1ccc2nc(N3CCCN(C(=O)O)CC3)c(C#N)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.72
▸ ALDH1A1 P00352 12/20 0.72
▸ CASP1 P29466 11/20 0.72
▸ CASP7 P55210 9/20 0.72
▸ MEN1 O00255 7/20 0.72
▸ KMT2A Q03164 7/20 0.72
▸ MAPK1 P28482 5/20 0.72
▸ TSHR P16473 5/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ ATM Q13315 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ ALOX15 P16050 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ RUNX1 Q01196 1/20 0.58
▸ CBFB Q13951 1/20 0.58
▸ HSD17B10 Q99714 7/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ TP53 P04637 2/20 0.57

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
SCHEMBL12043094 0.84 KDM4E (0.85) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL2525573 0.83 KDM4E (0.84) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL12043096 0.81 MEN1 (0.81) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL2522896 0.80 CASP1 (0.62) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL1445522 0.80 KDM4E (0.69) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL16940596 0.79 KDM4E (0.62) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL12043118 0.78 ALDH1A1 (0.70) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL16940595 0.77 KDM4E (0.74) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL12043114 0.75 KDM4E (0.64) KDM4EALDH1A1CASP1CASP7MEN1
SCHEMBL2525574 0.73 KDM4E (0.48) KDM4EALDH1A1CASP1CASP7MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937252-B1 COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT INC (US) 2017-10-25 — — EP disclosed
US-9539261-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2017-01-10 — — US disclosed
US-20150209371-A1 Methods and Compositions For Stimulating Neurogenesis and Inhibiting Neuronal Degeneration NEURONASCENT, INC. 2015-07-30 — — US disclosed
US-8999972-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2015-04-07 — — US disclosed
US-20110319391-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT, INC. 2011-12-29 — — US disclosed
US-20080234253-A1 Methods and Compositons for Stimulating Neurogenesis and Inhibiting Neuronal Degeneration NEURONASCENT, INC. (US) 2008-09-25 — — US disclosed
EP-1937252-A2 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION Neuronascent, Inc. (US) 2008-07-02 — — EP disclosed
WO-2007035722-A2 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT, INC. (US) 2007-03-29 — — WO 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-20110319391-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION DCX, BDNF, GAP43 KDM4E 3732/4885ALDH1A1 874/4885CASP1 1470/4885
US-20080234253-A1 Methods and Compositons for Stimulating Neurogenesis and Inhibiting Neuronal Degeneration DCX, BDNF, GAP43 KDM4E 4443/4885ALDH1A1 1544/4885CASP1 571/4885
US-20150209371-A1 Methods and Compositions For Stimulating Neurogenesis and Inhibiting Neuronal Degeneration DCX, BDNF, GAP43 KDM4E 3732/4885ALDH1A1 874/4885CASP1 1470/4885

“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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