SCHEMBL4382387

SCHEMBL4382387

CC(C)N(CC#N)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL4371656 0.98 ADH1C (0.38) DPP4CYP1A2MAPK1ADH1BADH1C
SCHEMBL25075552 0.91 DPP4 (0.39) DPP4CYP1A2MAPK1NOS3NOS1
SCHEMBL7447366 0.78 ADH1C (0.38) ADH1BADH1CADH1A
SCHEMBL104547 0.73 ADH1A (0.40) ADH1BADH1CADH1A
SCHEMBL13301673 0.73 ADH1A (0.45) ADH1BADH1CADH1A
SCHEMBL6976549 0.71 ADH1C (0.39) ADH1BADH1CADH1A
SCHEMBL13503176 0.71 ADH1A (0.43) ADH1BADH1CADH1A
SCHEMBL17914493 0.71 ADH1C (0.39) ADH1BADH1CADH1A
SCHEMBL23319699 0.71 ADH1C (0.39) ADH1BADH1CADH1A
SCHEMBL736638 0.71 ADH1C (0.39) ADH1BADH1CADH1A

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 22 patents — showing the first 20. 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-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-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-6624158-B2 Compound for use in the treatment of; sepsis, urogential, psychological, nervous system, respiratory, inflammatory, skin vascular and arthritic; wound healing agents PFIZER INC 2003-09-23 US disclosed
EP-1317465-A1 PURINE DERIVATIVES PFIZER INC. (US) 2003-06-11 EP disclosed
EP-1296996-A1 PURINE DERIVATIVES Pfizer Limited (GB) 2003-04-02 EP disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 US disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2002022630-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-03-21 WO disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002000676-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-01-03 WO 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 (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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 DPP4 1508/4885CYP1A2 208/4885MAPK1 1538/4885
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 DPP4 1345/4885CYP1A2 157/4885MAPK1 3672/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 DPP4 1508/4885CYP1A2 208/4885MAPK1 1538/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 DPP4 1576/4885CYP1A2 127/4885MAPK1 2185/4885
US-20020072597-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 DPP4 1508/4885CYP1A2 208/4885MAPK1 1538/4885

“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.