SCHEMBL2334879

SCHEMBL2334879

CCCC1CC(=O)N(Cn2cnc3c(NCC4CC4)ncnc32)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.39
ADORA2A P29274 5/20 0.39
TMIGD3 P0DMS9 4/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 1/20 0.38
ADORA2B P29275 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GRM1 Q13255 1/20 0.34

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
SCHEMBL15720248 0.90 TMIGD3 (0.43) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL1664988 0.87 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3PKM
SCHEMBL2332500 0.85 TMIGD3 (0.59) ADORA1ADORA2ATMIGD3CDK2ADORA2B
SCHEMBL6950039 0.81 FDPS (0.40) ADORA1ADORA2AADORA2B
SCHEMBL2332219 0.81 ADORA2A (0.51) ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL5057753 0.74 FDPS (0.39) KMT2AALDH1A1LMNA
SCHEMBL1668849 0.70 CSF1R (0.38) KMT2A
SCHEMBL2955159 0.69 POLB (0.32)
SCHEMBL1665583 0.69 CSF1R (0.34)
SCHEMBL2333592 0.68

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-3610890-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2020-02-19 EP disclosed
EP-2968237-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2919788-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2015-09-23 EP disclosed
WO-2014144663-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
WO-2014078568-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA THE JOHNS HOPKINS UNIVERSITY (US) 2014-05-22 WO disclosed
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-01 US disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 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 (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-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE ADORA1 2860/4885ADORA2A 345/4885TMIGD3 2645/4885

“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.