SCHEMBL4375626

SCHEMBL4375626

O=C(NCC1CCN(Cc2ccccc2)CC1)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
CXCR4 P61073 1/20 0.53
ACHE P22303 7/20 0.53
EPHX1 P07099 1/20 0.52
EPHX2 P34913 1/20 0.52
FAAH O00519 5/20 0.51
BCHE P06276 3/20 0.51
CACNA1I Q9P0X4 1/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL4374257 0.84 SIGMAR1 (0.62)
SCHEMBL589083 0.81 FAAH (0.54) ACHEFAAHBCHE
SCHEMBL11803522 0.77 CD38 (0.43) EPHX1
SCHEMBL17469031 0.76 ACHE (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5650400 0.76 CYP2B6 (0.45) EPHX1EPHX2
SCHEMBL22233596 0.76 FAAH (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23012935 0.75 SIGMAR1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17517685 0.74 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13097363 0.74 NAMPT (0.43)
SCHEMBL23013174 0.74 CACNA1I (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 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 (2 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 HDAC3 4394/4885HDAC4 4697/4885HDAC1 4613/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 HDAC3 4431/4885HDAC4 4715/4885HDAC1 4486/4885

“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.