SCHEMBL5225753

SCHEMBL5225753

CC(C)(C)OC(=O)n1cc(CN)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
EPHX1 P07099 1/20 0.57
PDE10A Q9Y233 1/20 0.49
HTR6 P50406 2/20 0.49
ADAM17 P78536 1/20 0.46
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIM1 P11309 1/20 0.45
MARK3 P27448 1/20 0.45
MAP4K2 Q12851 1/20 0.45
CAMK2B Q13554 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NR1H2 P55055 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL7505969 0.89 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL29992401 0.89 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL1520892 0.89 L3MBTL1 (0.70) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL10088115 0.89 L3MBTL1 (0.74) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL30777140 0.86 L3MBTL1 (0.72) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL4392865 0.86 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL23522089 0.86 L3MBTL1 (0.67) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL22153097 0.86 L3MBTL1 (0.67) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL29504836 0.86 L3MBTL1 (0.67) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL25911437 0.86 L3MBTL1 (0.67) L3MBTL1EPHX1PDE10AHTR6ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US disclosed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP disclosed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US disclosed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (1 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-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors POLI, DUT, NAAA L3MBTL1 2102/4885EPHX1 4122/4885PDE10A 1251/4885

“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.