SCHEMBL3540640

SCHEMBL3540640

O=C(O)C12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
PGR P06401 1/20 0.61
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSD11B1 P28845 4/20 0.47
DGAT1 O75907 1/20 0.46
SOAT1 P35610 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL3539080 0.85 NPC1 (0.63) NPC1RAB9APGRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7105999 0.83 NPC1 (0.64) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL31488838 0.82 NPC1 (0.50) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL3455697 0.82 HSD11B1 (0.71) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL18992826 0.82 NPC1 (1.00) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL12936225 0.81 KMT2A (0.55) ALDH1A1KMT2AMEN1HSD11B1DGAT1
SCHEMBL2253976 0.81 HSD11B1 (0.66) ALDH1A1KMT2AMEN1HSD11B1POLB
SCHEMBL1548744 0.81 HSD11B1 (0.66) ALDH1A1KMT2AMEN1HSD11B1POLB
SCHEMBL1397809 0.81 NPC1 (0.61) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL8087323 0.81 NPC1 (0.64) NPC1RAB9APGRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240857-B2 Adamantane derivatives for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2025-03-04 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission VERNALIS RESEARCH LIMITED 2003-07-10 US disclosed
US-6500866-B1 PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS BY ADMINISTERING N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST OR PRODRUGS SUCH AS 3,5-DIMETHYL-1-ADAMANTANECARBOXIMIDAMIDE HYDROCHLORIDE VERNALIS RESEARCH LIMITED (GB) 2002-12-31 US disclosed
EP-1037874-B1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2002-10-09 EP disclosed
EP-1037874-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-09-27 EP disclosed
WO-1999031051-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-06-24 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-12240857-B2 Adamantane derivatives for the treatment of filovirus infection IFNAR1, MEP1B, MEP1A NPC1 1346/4885RAB9A 795/4885PGR 3710/4885
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPC1 423/4885RAB9A 2923/4885PGR 2212/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 NPC1 399/4885RAB9A 2977/4885PGR 2110/4885
US-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, GRIN1, GRM1 NPC1 868/4885RAB9A 774/4885PGR 1176/4885

“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.