SCHEMBL4382413

SCHEMBL4382413

CC(C)N(CCN)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
ADH1B P00325 1/20 0.36
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7201658 0.98 ADH1A (0.39) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL13397455 0.91 DRD2 (0.33) DRD2DRD3SLC6A2SLC6A4
SCHEMBL14355686 0.86 ADH1A (0.37) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL14398636 0.80 KMT2A (0.35) ADH1AADH1CADH1B
SCHEMBL17914491 0.80 ADH1A (0.45) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL9927917 0.78 ADH1A (0.41) ADH1AADH1CADH1B
SCHEMBL17914487 0.78 ADH1A (0.47) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL104059 0.78 ADH1A (0.36) ADH1AADH1CADH1B
SCHEMBL736236 0.78 ADH1A (0.36) ADH1AADH1CADH1B
SCHEMBL13397397 0.78 DRD2 (0.32) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
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-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 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
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

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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADH1A 1523/4885ADH1C 2087/4885ADH1B 606/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADH1A 1251/4885ADH1C 1755/4885ADH1B 576/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADH1A 554/4885ADH1C 1326/4885ADH1B 993/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ADH1A 832/4885ADH1C 1206/4885ADH1B 476/4885
US-20020072597-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADH1A 554/4885ADH1C 1326/4885ADH1B 993/4885

“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.