SCHEMBL4138799

SCHEMBL4138799

CC(C(=O)Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC22A2 O15244 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
MAPT P10636 1/20 0.46
EPHX2 P34913 6/20 0.43
P2RX7 Q99572 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15149727 0.82 ALDH1A1 (0.50) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL1089252 0.82 ALDH1A1 (0.50) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL8073575 0.82 ALDH1A1 (0.50) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL8250495 0.81 DPP4 (0.48) NPC1ALDH1A1DPP4CYP3A4
SCHEMBL29201779 0.77 ALDH1A1 (0.51) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL14673444 0.75 ALDH1A1 (0.44) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL17628726 0.71 ALDH1A1 (0.39) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL17628724 0.71 ALDH1A1 (0.39) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL237472 0.70 SLC22A2 (0.56) NPC1ALDH1A1SLC22A2SLC47A1MAPT
SCHEMBL182779 0.70 SLC22A2 (0.56) NPC1ALDH1A1SLC22A2SLC47A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US disclosed
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP disclosed
US-7297818-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2007-11-20 US disclosed
EP-1352896-B1 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases ASTRAZENECA AB (SE) 2007-10-31 EP disclosed
US-20070082957-A1 Adamantane derivatives ASTRAZENECA AB 2007-04-12 US disclosed
EP-1352897-B1 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases ASTRAZENECA AB (SE) 2007-01-03 EP disclosed
US-7132457-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA AB 2005-03-03 US disclosed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352895-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352897-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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 (4 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-20070082957-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 NPC1 100/4885ALDH1A1 282/4885SLC22A2 1817/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 NPC1 111/4885ALDH1A1 328/4885SLC22A2 1926/4885
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease HRH1, HRH2, HRH4 NPC1 1670/4885ALDH1A1 126/4885SLC22A2 3022/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 NPC1 111/4885ALDH1A1 328/4885SLC22A2 1926/4885

“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.