SCHEMBL4371656

SCHEMBL4371656

CC(C)N(CC#N)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH1B P00325 1/20 0.38
DPP4 P27487 2/20 0.38
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CTSK P43235 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4382387 0.98 DPP4 (0.39) ADH1CADH1AADH1BDPP4CYP1A2
SCHEMBL25075552 0.90 DPP4 (0.39) DPP4CYP1A2MAPK1NOS3NOS1
SCHEMBL7447366 0.80 ADH1C (0.38) ADH1CADH1AADH1B
SCHEMBL13301673 0.76 ADH1A (0.45) ADH1CADH1AADH1B
SCHEMBL4570869 0.74 ADH1A (0.43) ADH1CADH1AADH1B
SCHEMBL13503176 0.74 ADH1A (0.43) ADH1CADH1AADH1B
SCHEMBL6969416 0.72 ADH1A (0.42) ADH1CADH1AADH1B
SCHEMBL19322515 0.72 ADH1A (0.42) ADH1CADH1AADH1B
SCHEMBL10433622 0.72 ADH1A (0.42) ADH1CADH1AADH1B
SCHEMBL736379 0.72 ADH1A (0.42) ADH1CADH1AADH1B

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
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-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
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADH1C 2087/4885ADH1A 1523/4885ADH1B 606/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADH1C 1755/4885ADH1A 1251/4885ADH1B 576/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ADH1C 1206/4885ADH1A 832/4885ADH1B 476/4885

“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.