SCHEMBL13713102

SCHEMBL13713102

CCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
RECQL P46063 1/20 0.67
LMNA P02545 2/20 0.59
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
CCR2 P41597 1/20 0.56
KCNH2 Q12809 1/20 0.56
HPGD P15428 1/20 0.56
FAAH O00519 2/20 0.56
ALOX5 P09917 1/20 0.55

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
SCHEMBL13712627 0.90 MEN1 (0.64) MEN1KMT2AALDH1A1NPSR1RECQL
SCHEMBL17551617 0.86 FAAH (0.74) KMT2AALDH1A1NPSR1LMNAMAPT
SCHEMBL14393743 0.85 LMNA (0.81) MEN1KMT2AALDH1A1NPSR1RECQL
SCHEMBL8251382 0.85 MEN1 (0.67) MEN1KMT2AALDH1A1NPSR1RECQL
SCHEMBL1245319 0.84 MEN1 (0.62) MEN1KMT2AALDH1A1NPSR1RECQL
SCHEMBL17742829 0.84 FAAH (0.77) MEN1KMT2AALDH1A1NPSR1RECQL
SCHEMBL13713093 0.84 ALOX5 (0.77) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL13533515 0.84 FAAH (0.72) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL14032511 0.84 LMNA (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19293986 0.84 POLB (0.71) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 US disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 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 (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-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 MEN1 3512/4885KMT2A 1796/4885ALDH1A1 830/4885

“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.