SCHEMBL4893446

SCHEMBL4893446

CCC(C)CN(Cc1cccc(N2CCOCC2)c1)c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
PIK3CB P42338 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 2/20 0.33
TPH1 P17752 1/20 0.33
TPH2 Q8IWU9 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PIK3CA P42336 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33

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
SCHEMBL4903611 0.94 KDM4E (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4895781 0.94 KDM4E (0.38) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4905752 0.88 PDE5A (0.41) ALDH1A1PDE9APDE1APDE1BPDE1C
SCHEMBL4903686 0.87 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4901550 0.86 RORC (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4128842 0.84 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL14021017 0.84 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4901853 0.83 PDE5A (0.40) ALDH1A1PDE9APDE1APDE1BPDE1C
SCHEMBL4901484 0.82 PDE5A (0.42) ALDH1A1PDE9APDE1APDE1BPDE1C
SCHEMBL14021008 0.80 KDM4E (0.40) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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 (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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A KDM4E 599/4885ALDH1A1 1873/4885NPSR1 1396/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A KDM4E 724/4885ALDH1A1 1254/4885NPSR1 1386/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B KDM4E 2357/4885ALDH1A1 130/4885NPSR1 2719/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A KDM4E 599/4885ALDH1A1 1873/4885NPSR1 1396/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A KDM4E 722/4885ALDH1A1 1336/4885NPSR1 1129/4885

“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.